AU1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2A | PA | doub | 1.48Å | 1.51Å | |
| O2B | PB | doub | 1.48Å | 1.51Å | |
| O1B | PB | sing | 1.61Å | 1.51Å | |
| O1A | PA | sing | 1.61Å | 1.51Å | |
| PB | N3A | sing | 1.68Å | 1.75Å | |
| PB | O3B | sing | 1.61Å | 1.51Å | |
| PA | N3A | sing | 1.68Å | 1.75Å | |
| PA | O5' | sing | 1.61Å | 1.61Å | |
| N6 | C6 | sing | 1.38Å | 1.36Å | |
| N1 | C6 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.40Å | 1.49Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.48Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C4 | N9 | sing | 1.37Å | 1.34Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.49Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| N3A | H2 | sing | 1.01Å | 1.00Å | |
| O1B | H3 | sing | 0.97Å | 0.95Å | |
| O3B | H4 | sing | 0.97Å | 0.95Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2A | PA | O1A | 118.1° | 109.5° |
| O2A | PA | N3A | 109.6° | 109.5° |
| O2A | PA | O5' | 106.1° | 109.5° |
| O2B | PB | O1B | 113.9° | 109.5° |
| O2B | PB | N3A | 107.1° | 109.5° |
| O2B | PB | O3B | 113.0° | 109.5° |
| O1B | PB | N3A | 104.6° | 109.5° |
| O1B | PB | O3B | 114.1° | 109.5° |
| PB | O1B | H3 | 109.5° | 114.0° |
| O1A | PA | N3A | 107.1° | 109.4° |
| O1A | PA | O5' | 108.5° | 109.5° |
| PA | O1A | H1 | 109.5° | 114.0° |
| N3A | PB | O3B | 102.8° | 109.4° |
| PB | N3A | PA | 125.4° | 111.0° |
| PB | N3A | H2 | 105.4° | 111.0° |
| PB | O3B | H4 | 109.5° | 114.0° |
| N3A | PA | O5' | 106.8° | 109.5° |
| PA | N3A | H2 | 105.4° | 110.9° |
| PA | O5' | C5' | 122.6° | 123.0° |
| N6 | C6 | N1 | 120.7° | 120.7° |
| N6 | C6 | C5 | 121.2° | 120.8° |
| C6 | N6 | H15 | 109.5° | 120.1° |
| C6 | N6 | H16 | 109.5° | 119.9° |
| C6 | N1 | C2 | 121.9° | 121.2° |
| N1 | C6 | C5 | 118.1° | 118.4° |
| N1 | C2 | N3 | 123.1° | 122.4° |
| N1 | C2 | H14 | 118.5° | 118.7° |
| O5' | C5' | C4' | 109.6° | 109.4° |
| O5' | C5' | H5 | 109.5° | 109.5° |
| O5' | C5' | H6 | 109.4° | 109.5° |
| C5' | C4' | O4' | 109.3° | 110.4° |
| C5' | C4' | C3' | 112.3° | 110.3° |
| C4' | C5' | H5 | 109.4° | 109.4° |
| C4' | C5' | H6 | 109.5° | 109.5° |
| C5' | C4' | H7 | 108.7° | 110.3° |
| C6 | C5 | C4 | 117.0° | 118.2° |
| C6 | C5 | N7 | 136.5° | 134.7° |
| C2 | N3 | C4 | 121.4° | 120.7° |
| N3 | C2 | H14 | 118.4° | 118.8° |
| N3 | C4 | C5 | 118.6° | 119.1° |
| N3 | C4 | N9 | 134.9° | 134.9° |
| C4 | C5 | N7 | 106.5° | 107.1° |
| C5 | C4 | N9 | 106.5° | 106.0° |
| C5 | N7 | C8 | 107.4° | 109.4° |
| C4' | O4' | C1' | 110.5° | 105.3° |
| O4' | C4' | C3' | 107.8° | 104.9° |
| O4' | C4' | H7 | 110.0° | 110.4° |
| O4' | C1' | N9 | 110.2° | 110.5° |
| O4' | C1' | C2' | 107.4° | 104.8° |
| O4' | C1' | H12 | 108.8° | 110.4° |
| C4 | N9 | C8 | 108.0° | 107.4° |
| C4 | N9 | C1' | 124.2° | 126.3° |
| N7 | C8 | N9 | 111.6° | 110.0° |
| N7 | C8 | H13 | 124.2° | 125.0° |
| C4' | C3' | C2' | 105.7° | 104.0° |
| C4' | C3' | O3' | 109.0° | 110.6° |
| C3' | C4' | H7 | 108.7° | 110.3° |
| C4' | C3' | H8 | 109.9° | 110.5° |
| C8 | N9 | C1' | 127.8° | 126.2° |
| N9 | C8 | H13 | 124.2° | 125.0° |
| N9 | C1' | C2' | 114.8° | 110.4° |
| N9 | C1' | H12 | 107.9° | 110.3° |
| C1' | C2' | C3' | 105.0° | 104.1° |
| C1' | C2' | O2' | 110.0° | 110.5° |
| C1' | C2' | H10 | 109.4° | 110.6° |
| C2' | C1' | H12 | 107.5° | 110.3° |
| C2' | C3' | O3' | 110.9° | 110.5° |
| C3' | C2' | O2' | 112.0° | 110.5° |
| C2' | C3' | H8 | 109.9° | 110.5° |
| C3' | C2' | H10 | 109.5° | 110.5° |
| O3' | C3' | H8 | 111.2° | 110.6° |
| C3' | O3' | H9 | 109.5° | 114.1° |
| O2' | C2' | H10 | 110.7° | 110.4° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| H5 | C5' | H6 | 109.4° | 109.5° |
| H15 | N6 | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2A | PA | O1A | N3A | 124.3° | 120.0° |
| O2A | PA | O1A | O5' | 120.8° | 120.0° |
| O2A | PA | N3A | PB | 13.0° | 60.0° |
| O2A | PA | N3A | O5' | 114.6° | 120.0° |
| O2A | PA | O5' | C5' | 100.5° | 45.0° |
| O2A | PA | O1A | H1 | 0.0° | 180.0° |
| O2A | PA | N3A | H2 | 135.1° | 176.1° |
| O2B | PB | O1B | N3A | 116.6° | 120.0° |
| O2B | PB | O1B | O3B | 131.8° | 120.0° |
| O2B | PB | N3A | O3B | 119.3° | 120.0° |
| O2B | PB | N3A | PA | 34.9° | 60.0° |
| O2B | PB | N3A | H2 | 157.0° | 63.9° |
| O2B | PB | O1B | H3 | 0.0° | 180.0° |
| O2B | PB | O3B | H4 | 0.0° | 60.0° |
| O1B | PB | N3A | O3B | 119.5° | 120.0° |
| O1B | PB | N3A | PA | 86.3° | 60.0° |
| O1B | PB | N3A | H2 | 35.8° | 176.1° |
| O1B | PB | O3B | H4 | 132.3° | 60.0° |
| O1A | PA | N3A | PB | 116.4° | 60.0° |
| O1A | PA | N3A | O5' | 116.1° | 120.0° |
| O1A | PA | O5' | C5' | 27.4° | 165.0° |
| O1A | PA | N3A | H2 | 5.8° | 63.9° |
| PB | N3A | PA | H2 | 122.1° | 123.9° |
| PB | N3A | PA | O5' | 127.6° | 180.0° |
| N3A | PB | O1B | H3 | 116.6° | 60.0° |
| N3A | PB | O3B | H4 | 115.1° | 180.0° |
| O3B | PB | N3A | PA | 154.2° | 180.0° |
| O3B | PB | N3A | H2 | 83.7° | 56.1° |
| O3B | PB | O1B | H3 | 131.8° | 60.0° |
| N3A | PA | O5' | C5' | 142.6° | 75.0° |
| N3A | PA | O1A | H1 | 124.3° | 60.0° |
| PA | O5' | C5' | C4' | 176.1° | 180.0° |
| O5' | PA | O1A | H1 | 120.8° | 60.0° |
| O5' | PA | N3A | H2 | 110.3° | 56.0° |
| PA | O5' | C5' | H5 | 63.9° | 60.1° |
| PA | O5' | C5' | H6 | 56.1° | 60.0° |
| N6 | C6 | N1 | C5 | 179.8° | 179.9° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| N6 | C6 | C5 | C4 | 179.7° | 180.0° |
| N6 | C6 | C5 | N7 | 0.5° | 0.0° |
| C6 | N6 | H15 | H16 | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N7 | 179.7° | 179.9° |
| C6 | N1 | C2 | H14 | 179.7° | 179.9° |
| N1 | C6 | N6 | H15 | 0.0° | 0.0° |
| N1 | C6 | N6 | H16 | 120.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| N1 | C2 | N3 | H14 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| O5' | C5' | C4' | H5 | 120.0° | 119.9° |
| O5' | C5' | C4' | H6 | 120.0° | 120.0° |
| O5' | C5' | C4' | O4' | 139.5° | 69.6° |
| O5' | C5' | C4' | C3' | 100.9° | 175.0° |
| O5' | C5' | H5 | H6 | 119.9° | 120.0° |
| O5' | C5' | C4' | H7 | 19.3° | 52.8° |
| C5' | C4' | O4' | C3' | 122.3° | 118.9° |
| C5' | C4' | O4' | H7 | 119.4° | 122.3° |
| C5' | C4' | O4' | C1' | 136.0° | 159.3° |
| C5' | C4' | C3' | H7 | 120.3° | 122.2° |
| C5' | C4' | C3' | C2' | 122.6° | 142.9° |
| C5' | C4' | C3' | O3' | 118.1° | 98.5° |
| C4' | C5' | H5 | H6 | 120.0° | 120.0° |
| C5' | C4' | C3' | H8 | 4.0° | 24.3° |
| C6 | C5 | C4 | N3 | 0.2° | 0.0° |
| C6 | C5 | C4 | N7 | 179.9° | 180.0° |
| C6 | C5 | C4 | N9 | 179.5° | 180.0° |
| C6 | C5 | N7 | C8 | 180.0° | 180.0° |
| C5 | C6 | N6 | H15 | 179.8° | 179.9° |
| C5 | C6 | N6 | H16 | 59.8° | 0.1° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | N9 | 179.1° | 179.9° |
| N3 | C4 | C5 | N9 | 179.3° | 180.0° |
| N3 | C4 | C5 | N7 | 179.7° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 180.0° |
| N3 | C4 | N9 | C1' | 0.9° | 0.2° |
| C4 | N3 | C2 | H14 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.8° | 0.0° |
| C5 | C4 | N9 | C1' | 180.0° | 179.7° |
| N7 | C5 | C4 | N9 | 0.4° | 0.0° |
| C5 | N7 | C8 | N9 | 0.7° | 0.0° |
| C5 | N7 | C8 | H13 | 179.3° | 179.8° |
| O4' | C4' | C3' | H7 | 119.2° | 118.9° |
| C4' | O4' | C1' | N9 | 145.3° | 159.4° |
| C4' | O4' | C1' | C2' | 19.6° | 40.4° |
| O4' | C4' | C3' | C2' | 2.2° | 24.0° |
| O4' | C4' | C3' | O3' | 121.4° | 142.6° |
| O4' | C4' | C5' | H5 | 19.5° | 50.4° |
| O4' | C4' | C5' | H6 | 100.5° | 170.4° |
| O4' | C4' | C3' | H8 | 116.4° | 94.6° |
| C4' | O4' | C1' | H12 | 96.5° | 78.4° |
| O4' | C1' | N9 | C4 | 79.0° | 159.3° |
| C1' | O4' | C4' | C3' | 13.7° | 40.5° |
| O4' | C1' | N9 | C8 | 100.0° | 20.4° |
| O4' | C1' | N9 | C2' | 121.4° | 115.5° |
| O4' | C1' | N9 | H12 | 118.7° | 122.3° |
| O4' | C1' | C2' | H12 | 116.9° | 118.8° |
| O4' | C1' | C2' | C3' | 17.3° | 23.9° |
| O4' | C1' | C2' | O2' | 138.0° | 142.6° |
| C1' | O4' | C4' | H7 | 104.7° | 78.4° |
| O4' | C1' | C2' | H10 | 100.2° | 94.8° |
| C4 | N9 | C8 | N7 | 1.0° | 0.0° |
| C4 | N9 | C8 | C1' | 179.2° | 179.8° |
| C4 | N9 | C1' | C2' | 159.6° | 85.2° |
| C4 | N9 | C1' | H12 | 39.7° | 36.9° |
| C4 | N9 | C8 | H13 | 179.0° | 179.8° |
| N7 | C8 | N9 | H13 | 180.0° | 179.7° |
| N7 | C8 | N9 | C1' | 179.8° | 179.7° |
| C4' | C3' | C2' | C1' | 9.0° | 0.0° |
| C4' | C3' | C2' | O3' | 118.0° | 118.7° |
| C4' | C3' | C2' | H8 | 118.6° | 118.6° |
| C4' | C3' | O3' | H8 | 121.3° | 122.7° |
| C4' | C3' | C2' | O2' | 128.4° | 118.7° |
| C3' | C4' | C5' | H5 | 139.0° | 65.1° |
| C3' | C4' | C5' | H6 | 19.1° | 55.0° |
| C4' | C3' | O3' | H9 | 180.0° | 179.9° |
| C4' | C3' | C2' | H10 | 108.4° | 118.7° |
| C8 | N9 | C1' | C2' | 21.4° | 95.1° |
| C8 | N9 | C1' | H12 | 141.3° | 142.8° |
| N9 | C1' | C2' | H12 | 120.1° | 122.2° |
| N9 | C1' | C2' | C3' | 140.2° | 143.0° |
| N9 | C1' | C2' | O2' | 99.1° | 98.4° |
| N9 | C1' | C2' | H10 | 22.8° | 24.3° |
| C1' | N9 | C8 | H13 | 0.2° | 0.0° |
| C1' | C2' | C3' | O2' | 119.4° | 118.7° |
| C1' | C2' | C3' | H10 | 117.4° | 118.7° |
| C1' | C2' | C3' | O3' | 109.0° | 118.7° |
| C1' | C2' | O2' | H10 | 121.1° | 122.7° |
| C1' | C2' | C3' | H8 | 127.6° | 118.6° |
| C1' | C2' | O2' | H11 | 180.0° | 176.1° |
| C2' | C3' | O3' | H8 | 122.6° | 122.7° |
| C3' | C2' | O2' | H10 | 122.5° | 122.6° |
| C2' | C3' | C4' | H7 | 117.1° | 95.0° |
| C2' | C3' | O3' | H9 | 64.0° | 65.3° |
| C3' | C2' | O2' | H11 | 63.6° | 61.4° |
| C3' | C2' | C1' | H12 | 99.6° | 94.9° |
| O3' | C3' | C2' | O2' | 10.4° | 0.0° |
| O3' | C3' | C4' | H7 | 2.2° | 23.7° |
| O3' | C3' | C2' | H10 | 133.6° | 122.6° |
| O2' | C2' | C3' | H8 | 113.0° | 122.7° |
| O2' | C2' | C1' | H12 | 21.0° | 23.8° |
| H5 | C5' | C4' | H7 | 100.7° | 172.7° |
| H6 | C5' | C4' | H7 | 139.4° | 67.2° |
| H7 | C4' | C3' | H8 | 124.3° | 146.4° |
| H8 | C3' | O3' | H9 | 58.7° | 57.4° |
| H8 | C3' | C2' | H10 | 10.2° | 0.1° |
| H10 | C2' | O2' | H11 | 58.9° | 61.2° |
| H10 | C2' | C1' | H12 | 142.9° | 146.4° |
