AT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1G | PG | doub | 1.48Å | 1.50Å | |
| O2G | PG | sing | 1.61Å | 1.51Å | |
| PG | O3B | sing | 1.61Å | 1.61Å | |
| PG | O3G | sing | 1.61Å | 1.51Å | |
| O3B | PB | sing | 1.61Å | 1.60Å | |
| O2B | PB | doub | 1.48Å | 1.49Å | |
| PB | O1B | sing | 1.61Å | 1.49Å | |
| PB | O3A | sing | 1.61Å | 1.60Å | |
| O3A | PA | sing | 1.61Å | 1.60Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| O5' | PA | sing | 1.61Å | 1.60Å | |
| O5' | C5' | sing | 1.43Å | 1.45Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| PA | O2A | doub | 1.48Å | 1.49Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| F4 | C2' | sing | 1.40Å | 1.35Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C3 | C2' | sing | 1.53Å | 1.52Å | |
| C2' | C1' | sing | 1.54Å | 1.54Å | |
| O4' | C1' | sing | 1.44Å | 1.42Å | |
| C1' | N9 | sing | 1.46Å | 1.47Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.35Å | |
| C4 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.33Å | |
| N7 | C5 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N1 | sing | 1.36Å | 1.37Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| C4' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C5' | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| O1A | H13 | sing | 0.97Å | 0.95Å | |
| O1B | H14 | sing | 0.97Å | 0.95Å | |
| O2G | H15 | sing | 0.97Å | 0.95Å | |
| O3' | H16 | sing | 0.97Å | 0.95Å | |
| O3G | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1G | PG | O2G | 112.4° | 109.4° |
| O1G | PG | O3B | 106.8° | 109.5° |
| O1G | PG | O3G | 112.6° | 109.5° |
| O2G | PG | O3B | 106.0° | 109.5° |
| O2G | PG | O3G | 112.8° | 109.4° |
| PG | O2G | H15 | 109.5° | 114.0° |
| O3B | PG | O3G | 105.6° | 109.5° |
| PG | O3B | PB | 129.2° | 134.0° |
| PG | O3G | H17 | 109.5° | 114.0° |
| O3B | PB | O2B | 108.4° | 109.5° |
| O3B | PB | O1B | 107.6° | 109.5° |
| O3B | PB | O3A | 102.7° | 109.5° |
| O2B | PB | O1B | 119.6° | 109.5° |
| O2B | PB | O3A | 108.5° | 109.4° |
| O1B | PB | O3A | 108.7° | 109.5° |
| PB | O1B | H14 | 109.5° | 114.0° |
| PB | O3A | PA | 131.4° | 134.0° |
| O3A | PA | O5' | 102.1° | 109.5° |
| O3A | PA | O2A | 109.4° | 109.5° |
| O3A | PA | O1A | 108.6° | 109.5° |
| O3' | C3' | C4' | 108.8° | 110.9° |
| O3' | C3' | C2' | 110.8° | 111.0° |
| O3' | C3' | H5 | 111.3° | 110.8° |
| C3' | O3' | H16 | 109.5° | 114.1° |
| PA | O5' | C5' | 115.6° | 123.0° |
| O5' | PA | O2A | 108.8° | 109.5° |
| O5' | PA | O1A | 109.1° | 109.5° |
| O5' | C5' | C4' | 110.7° | 109.5° |
| O5' | C5' | H7 | 109.1° | 109.5° |
| O5' | C5' | H8 | 109.2° | 109.5° |
| C4' | C3' | C2' | 106.3° | 102.1° |
| C3' | C4' | C5' | 116.1° | 110.6° |
| C3' | C4' | O4' | 106.5° | 103.6° |
| C4' | C3' | H5 | 109.9° | 110.9° |
| C3' | C4' | H6 | 107.8° | 110.7° |
| C3' | C2' | F4 | 108.3° | 110.6° |
| C3' | C2' | C3 | 113.9° | 110.5° |
| C3' | C2' | C1' | 105.1° | 104.2° |
| C2' | C3' | H5 | 109.7° | 110.9° |
| O2A | PA | O1A | 117.7° | 109.5° |
| PA | O1A | H13 | 109.5° | 114.0° |
| F4 | C2' | C3 | 107.0° | 110.4° |
| F4 | C2' | C1' | 108.2° | 110.5° |
| C5' | C4' | O4' | 109.7° | 110.6° |
| C5' | C4' | H6 | 107.8° | 110.7° |
| C4' | C5' | H7 | 109.2° | 109.5° |
| C4' | C5' | H8 | 109.1° | 109.5° |
| C4' | O4' | C1' | 112.4° | 106.9° |
| O4' | C4' | H6 | 108.7° | 110.5° |
| C3 | C2' | C1' | 114.2° | 110.5° |
| C2' | C3 | H2 | 109.5° | 109.5° |
| C2' | C3 | H3 | 109.5° | 109.5° |
| C2' | C3 | H4 | 109.5° | 109.5° |
| C2' | C1' | O4' | 107.5° | 107.4° |
| C2' | C1' | N9 | 117.7° | 109.8° |
| C2' | C1' | H1 | 106.8° | 109.8° |
| O4' | C1' | N9 | 108.7° | 109.9° |
| O4' | C1' | H1 | 108.2° | 109.9° |
| C1' | N9 | C8 | 129.2° | 126.2° |
| C1' | N9 | C4 | 124.3° | 126.3° |
| N9 | C1' | H1 | 107.6° | 109.9° |
| C8 | N9 | C4 | 106.4° | 107.5° |
| N9 | C8 | N7 | 112.6° | 109.8° |
| N9 | C8 | H9 | 123.7° | 125.1° |
| N9 | C4 | N3 | 125.2° | 134.2° |
| N9 | C4 | C5 | 106.1° | 106.1° |
| C8 | N7 | C5 | 104.4° | 109.3° |
| N7 | C8 | H9 | 123.7° | 125.1° |
| N3 | C4 | C5 | 128.7° | 119.7° |
| C4 | N3 | C2 | 111.5° | 121.1° |
| C4 | C5 | N7 | 110.5° | 107.3° |
| C4 | C5 | C6 | 119.3° | 118.6° |
| N3 | C2 | N2 | 119.8° | 119.1° |
| N3 | C2 | N1 | 123.9° | 121.9° |
| N7 | C5 | C6 | 130.2° | 134.1° |
| C5 | C6 | N1 | 111.3° | 118.3° |
| C5 | C6 | O6 | 128.6° | 120.8° |
| N2 | C2 | N1 | 116.2° | 119.0° |
| C2 | N2 | H11 | 120.0° | 120.0° |
| C2 | N2 | H12 | 120.0° | 120.0° |
| C2 | N1 | C6 | 125.3° | 120.3° |
| C2 | N1 | H10 | 117.4° | 119.8° |
| N1 | C6 | O6 | 120.1° | 120.8° |
| C6 | N1 | H10 | 117.3° | 119.9° |
| H2 | C3 | H3 | 109.4° | 109.4° |
| H2 | C3 | H4 | 109.5° | 109.4° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H7 | C5' | H8 | 109.5° | 109.4° |
| H11 | N2 | H12 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1G | PG | O2G | O3B | 116.4° | 120.0° |
| O1G | PG | O2G | O3G | 128.6° | 119.9° |
| O1G | PG | O3B | O3G | 120.1° | 120.0° |
| O1G | PG | O3B | PB | 150.4° | 40.0° |
| O1G | PG | O2G | H15 | 0.0° | 180.0° |
| O1G | PG | O3G | H17 | 0.0° | 59.9° |
| O2G | PG | O3B | O3G | 119.9° | 120.0° |
| O2G | PG | O3B | PB | 30.4° | 80.0° |
| O2G | PG | O3G | H17 | 128.5° | 60.0° |
| PG | O3B | PB | O2B | 97.6° | 45.0° |
| PG | O3B | PB | O1B | 33.1° | 75.0° |
| PG | O3B | PB | O3A | 147.7° | 165.0° |
| O3B | PG | O2G | H15 | 116.3° | 59.9° |
| O3B | PG | O3G | H17 | 116.2° | 180.0° |
| O3G | PG | O3B | PB | 89.5° | 160.0° |
| O3G | PG | O2G | H15 | 128.6° | 60.1° |
| O3B | PB | O2B | O1B | 123.8° | 120.0° |
| O3B | PB | O2B | O3A | 110.9° | 120.0° |
| O3B | PB | O1B | O3A | 110.6° | 120.0° |
| O3B | PB | O3A | PA | 157.4° | 160.0° |
| O3B | PB | O1B | H14 | 124.2° | 60.0° |
| O2B | PB | O1B | O3A | 125.3° | 120.0° |
| O2B | PB | O3A | PA | 87.9° | 40.0° |
| O2B | PB | O1B | H14 | 0.0° | 179.9° |
| O1B | PB | O3A | PA | 43.6° | 80.0° |
| PB | O3A | PA | O5' | 111.2° | 165.0° |
| PB | O3A | PA | O2A | 3.9° | 45.0° |
| PB | O3A | PA | O1A | 133.7° | 75.0° |
| O3A | PB | O1B | H14 | 125.3° | 60.0° |
| O3A | PA | O5' | O2A | 115.6° | 120.0° |
| O3A | PA | O5' | O1A | 114.8° | 120.0° |
| O3A | PA | O5' | C5' | 135.6° | 175.0° |
| O3A | PA | O2A | O1A | 124.6° | 120.0° |
| O3A | PA | O1A | H13 | 125.0° | 60.0° |
| O3' | C3' | C4' | C2' | 119.3° | 118.3° |
| O3' | C3' | C4' | H5 | 122.1° | 123.6° |
| O3' | C3' | C2' | H5 | 123.3° | 123.6° |
| O3' | C3' | C2' | F4 | 11.1° | 20.3° |
| O3' | C3' | C4' | C5' | 133.2° | 86.2° |
| O3' | C3' | C4' | O4' | 104.3° | 155.3° |
| O3' | C3' | C2' | C3 | 130.0° | 102.2° |
| O3' | C3' | C2' | C1' | 104.4° | 139.1° |
| O3' | C3' | C4' | H6 | 12.2° | 36.8° |
| O5' | PA | O2A | O1A | 124.6° | 120.1° |
| PA | O5' | C5' | C4' | 148.0° | 180.0° |
| PA | O5' | C5' | H7 | 91.8° | 60.0° |
| PA | O5' | C5' | H8 | 27.9° | 60.0° |
| O5' | PA | O1A | H13 | 124.5° | 60.0° |
| O5' | C5' | C4' | C3' | 0.3° | 175.0° |
| C5' | O5' | PA | O2A | 108.8° | 55.0° |
| C5' | O5' | PA | O1A | 20.8° | 65.0° |
| O5' | C5' | C4' | H7 | 120.2° | 120.0° |
| O5' | C5' | C4' | H8 | 120.2° | 120.0° |
| O5' | C5' | C4' | O4' | 120.5° | 70.8° |
| O5' | C5' | C4' | H6 | 121.3° | 52.0° |
| O5' | C5' | H7 | H8 | 119.4° | 120.0° |
| C4' | C3' | C2' | H5 | 118.7° | 118.1° |
| C4' | C3' | C2' | F4 | 129.1° | 97.9° |
| C3' | C4' | C5' | O4' | 120.8° | 114.2° |
| C3' | C4' | C5' | H6 | 121.0° | 123.0° |
| C3' | C4' | O4' | H6 | 115.9° | 118.6° |
| C4' | C3' | C2' | C3 | 112.0° | 139.6° |
| C4' | C3' | C2' | C1' | 13.6° | 20.9° |
| C3' | C4' | O4' | C1' | 10.9° | 39.9° |
| C3' | C4' | C5' | H7 | 119.8° | 55.0° |
| C3' | C4' | C5' | H8 | 120.5° | 65.0° |
| C4' | C3' | O3' | H16 | 180.0° | 61.4° |
| C3' | C2' | F4 | C3 | 123.2° | 122.6° |
| C3' | C2' | F4 | C1' | 113.4° | 114.9° |
| C2' | C3' | C4' | C5' | 107.5° | 155.5° |
| C2' | C3' | C4' | O4' | 15.0° | 37.0° |
| C3' | C2' | C3 | C1' | 120.7° | 114.8° |
| C3' | C2' | C1' | O4' | 7.4° | 1.9° |
| C3' | C2' | C1' | N9 | 130.5° | 121.5° |
| C3' | C2' | C1' | H1 | 108.5° | 117.6° |
| C3' | C2' | C3 | H2 | 180.0° | 54.8° |
| C3' | C2' | C3 | H3 | 60.0° | 65.2° |
| C3' | C2' | C3 | H4 | 60.0° | 174.8° |
| C2' | C3' | C4' | H6 | 131.5° | 81.5° |
| C2' | C3' | O3' | H16 | 63.5° | 174.2° |
| O2A | PA | O1A | H13 | 0.0° | 180.0° |
| F4 | C2' | C3 | C1' | 119.7° | 122.6° |
| F4 | C2' | C1' | O4' | 123.0° | 120.8° |
| F4 | C2' | C1' | N9 | 114.0° | 119.7° |
| F4 | C2' | C1' | H1 | 7.0° | 1.2° |
| F4 | C2' | C3 | H2 | 60.4° | 177.4° |
| F4 | C2' | C3 | H3 | 179.6° | 57.4° |
| F4 | C2' | C3 | H4 | 59.6° | 62.6° |
| F4 | C2' | C3' | H5 | 112.1° | 144.0° |
| C5' | C4' | O4' | H6 | 117.7° | 122.9° |
| C5' | C4' | O4' | C1' | 115.6° | 158.5° |
| C5' | C4' | C3' | H5 | 11.2° | 37.4° |
| C4' | C5' | H7 | H8 | 119.4° | 120.0° |
| C4' | O4' | C1' | C2' | 2.1° | 26.3° |
| C4' | O4' | C1' | N9 | 126.3° | 145.8° |
| C4' | O4' | C1' | H1 | 117.1° | 93.1° |
| O4' | C4' | C3' | H5 | 133.7° | 81.2° |
| O4' | C4' | C5' | H7 | 119.4° | 169.2° |
| O4' | C4' | C5' | H8 | 0.3° | 49.2° |
| C3 | C2' | C1' | O4' | 118.0° | 116.7° |
| C3 | C2' | C1' | N9 | 5.0° | 2.8° |
| C3 | C2' | C1' | H1 | 126.0° | 123.8° |
| C2' | C3 | H2 | H3 | 120.0° | 120.0° |
| C2' | C3 | H2 | H4 | 120.0° | 120.0° |
| C2' | C3 | H3 | H4 | 120.0° | 120.0° |
| C3 | C2' | C3' | H5 | 6.7° | 21.4° |
| C2' | C1' | O4' | N9 | 128.4° | 119.5° |
| C2' | C1' | O4' | H1 | 115.0° | 119.5° |
| C2' | C1' | N9 | H1 | 120.6° | 120.9° |
| C2' | C1' | N9 | C8 | 77.6° | 94.8° |
| C2' | C1' | N9 | C4 | 104.9° | 85.4° |
| C1' | C2' | C3 | H2 | 59.3° | 60.0° |
| C1' | C2' | C3 | H3 | 60.7° | 180.0° |
| C1' | C2' | C3 | H4 | 179.3° | 60.0° |
| C1' | C2' | C3' | H5 | 132.3° | 97.2° |
| O4' | C1' | N9 | H1 | 117.0° | 121.1° |
| O4' | C1' | N9 | C8 | 44.9° | 23.1° |
| O4' | C1' | N9 | C4 | 132.6° | 156.7° |
| C1' | O4' | C4' | H6 | 126.7° | 78.6° |
| C1' | N9 | C8 | C4 | 177.9° | 179.9° |
| C1' | N9 | C8 | N7 | 178.9° | 179.9° |
| C1' | N9 | C4 | N3 | 1.7° | 0.1° |
| C1' | N9 | C4 | C5 | 179.0° | 179.9° |
| C1' | N9 | C8 | H9 | 1.1° | 0.2° |
| N9 | C8 | N7 | H9 | 180.0° | 179.9° |
| C8 | N9 | C4 | N3 | 179.7° | 179.9° |
| C8 | N9 | C4 | C5 | 1.1° | 0.0° |
| N9 | C8 | N7 | C5 | 0.6° | 0.1° |
| C8 | N9 | C1' | H1 | 161.8° | 144.2° |
| C4 | N9 | C8 | N7 | 1.1° | 0.1° |
| N9 | C4 | N3 | C5 | 179.0° | 180.0° |
| N9 | C4 | N3 | C2 | 179.1° | 179.9° |
| N9 | C4 | C5 | N7 | 0.7° | 0.0° |
| N9 | C4 | C5 | C6 | 179.2° | 179.7° |
| C4 | N9 | C1' | H1 | 15.7° | 35.6° |
| C4 | N9 | C8 | H9 | 179.0° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| C8 | N7 | C5 | C6 | 179.8° | 179.7° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | N3 | C2 | N2 | 179.8° | 180.0° |
| C4 | N3 | C2 | N1 | 0.1° | 0.2° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C4 | C5 | N7 | C6 | 179.9° | 179.6° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| C4 | C5 | C6 | O6 | 179.5° | 179.9° |
| N3 | C2 | N2 | N1 | 179.7° | 179.8° |
| N3 | C2 | N1 | C6 | 0.3° | 0.2° |
| N3 | C2 | N1 | H10 | 179.7° | 179.7° |
| N3 | C2 | N2 | H11 | 0.0° | 179.7° |
| N3 | C2 | N2 | H12 | 180.0° | 0.2° |
| N7 | C5 | C6 | N1 | 179.9° | 179.9° |
| N7 | C5 | C6 | O6 | 0.6° | 0.5° |
| C5 | N7 | C8 | H9 | 179.4° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.1° |
| C5 | C6 | N1 | O6 | 179.4° | 179.6° |
| C5 | C6 | N1 | H10 | 179.7° | 180.0° |
| N2 | C2 | N1 | C6 | 180.0° | 180.0° |
| N2 | C2 | N1 | H10 | 0.0° | 0.1° |
| C2 | N2 | H11 | H12 | 180.0° | 180.0° |
| C2 | N1 | C6 | H10 | 180.0° | 179.9° |
| C2 | N1 | C6 | O6 | 179.7° | 179.7° |
| N1 | C2 | N2 | H11 | 179.8° | 0.1° |
| N1 | C2 | N2 | H12 | 0.3° | 180.0° |
| O6 | C6 | N1 | H10 | 0.3° | 0.4° |
| H2 | C3 | H3 | H4 | 120.0° | 120.0° |
| H5 | C3' | C4' | H6 | 109.9° | 160.4° |
| H5 | C3' | O3' | H16 | 58.8° | 62.2° |
| H6 | C4' | C5' | H7 | 1.2° | 68.0° |
| H6 | C4' | C5' | H8 | 118.5° | 172.0° |
