A1A3L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C4 | sing | 1.38Å | 1.39Å | |
| C4 | N3 | doub | 1.33Å | 1.49Å | |
| C4 | C5 | sing | 1.41Å | 1.48Å | |
| N3 | C2 | sing | 1.33Å | 1.51Å | |
| C5 | C6 | doub | 1.35Å | 1.55Å | |
| C2 | O2 | doub | 1.22Å | 1.16Å | |
| C2 | N1 | sing | 1.35Å | 1.46Å | |
| C6 | N1 | sing | 1.36Å | 1.48Å | |
| N1 | C1' | sing | 1.46Å | 1.43Å | |
| O2B | PB | doub | 1.48Å | 1.46Å | |
| O1B | PB | sing | 1.61Å | 1.46Å | |
| O1A | PA | doub | 1.48Å | 1.46Å | |
| PB | O3B | sing | 1.61Å | 1.46Å | |
| PB | O3A | sing | 1.61Å | 1.64Å | |
| C1' | C2' | sing | 1.55Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.47Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| PA | O2A | sing | 1.61Å | 1.45Å | |
| PA | O3A | sing | 1.61Å | 1.65Å | |
| PA | O5' | sing | 1.61Å | 1.64Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| O4' | C4' | sing | 1.44Å | 1.42Å | |
| O01 | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.56Å | |
| C3' | N01 | sing | 1.47Å | 1.46Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C1' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C2' | 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 | |
| N01 | H9 | sing | 1.01Å | 1.00Å | |
| N01 | H10 | sing | 1.01Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| O01 | H14 | sing | 0.97Å | 0.95Å | |
| O1B | H15 | sing | 0.97Å | 0.95Å | |
| O2A | H16 | sing | 0.97Å | 0.95Å | |
| O3B | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C4 | N3 | 119.8° | 120.1° |
| N4 | C4 | C5 | 120.2° | 120.2° |
| C4 | N4 | H12 | 120.0° | 120.1° |
| C4 | N4 | H13 | 120.0° | 119.9° |
| N3 | C4 | C5 | 120.0° | 119.6° |
| C4 | N3 | C2 | 119.8° | 120.7° |
| C4 | C5 | C6 | 118.9° | 119.0° |
| C4 | C5 | H1 | 120.6° | 120.5° |
| N3 | C2 | O2 | 119.8° | 119.4° |
| N3 | C2 | N1 | 121.3° | 121.1° |
| C5 | C6 | N1 | 120.3° | 119.2° |
| C6 | C5 | H1 | 120.6° | 120.5° |
| C5 | C6 | H2 | 119.9° | 120.4° |
| O2 | C2 | N1 | 118.9° | 119.5° |
| C2 | N1 | C6 | 119.7° | 120.3° |
| C2 | N1 | C1' | 119.4° | 119.9° |
| C6 | N1 | C1' | 120.9° | 119.8° |
| N1 | C6 | H2 | 119.9° | 120.4° |
| N1 | C1' | C2' | 119.2° | 110.6° |
| N1 | C1' | O4' | 111.3° | 110.6° |
| N1 | C1' | H3 | 107.5° | 110.7° |
| O2B | PB | O1B | 104.6° | 109.4° |
| O2B | PB | O3B | 104.5° | 109.5° |
| O2B | PB | O3A | 114.4° | 109.5° |
| O1B | PB | O3B | 104.3° | 109.5° |
| O1B | PB | O3A | 114.2° | 109.5° |
| PB | O1B | H15 | 109.5° | 114.0° |
| O1A | PA | O2A | 101.4° | 109.5° |
| O1A | PA | O3A | 112.0° | 109.4° |
| O1A | PA | O5' | 111.8° | 109.5° |
| O3B | PB | O3A | 113.6° | 109.5° |
| PB | O3B | H17 | 109.5° | 113.9° |
| PB | O3A | PA | 124.6° | 134.0° |
| C2' | C1' | O4' | 105.1° | 103.5° |
| C1' | C2' | C3' | 107.9° | 102.1° |
| C2' | C1' | H3 | 106.1° | 110.6° |
| C1' | C2' | H4 | 109.9° | 110.9° |
| C1' | C2' | H5 | 109.9° | 111.0° |
| C1' | O4' | C4' | 109.6° | 107.0° |
| O4' | C1' | H3 | 107.0° | 110.6° |
| C2' | C3' | O01 | 108.5° | 110.5° |
| C2' | C3' | C4' | 98.9° | 104.1° |
| C2' | C3' | N01 | 122.6° | 110.5° |
| C3' | C2' | H4 | 109.9° | 110.9° |
| C3' | C2' | H5 | 109.9° | 110.9° |
| O2A | PA | O3A | 112.5° | 109.5° |
| O2A | PA | O5' | 109.4° | 109.5° |
| PA | O2A | H16 | 109.5° | 114.1° |
| O3A | PA | O5' | 109.5° | 109.5° |
| PA | O5' | C5' | 116.8° | 123.0° |
| O5' | C5' | C4' | 109.9° | 109.5° |
| O5' | C5' | H7 | 109.3° | 109.4° |
| O5' | C5' | H8 | 109.4° | 109.5° |
| C5' | C4' | O4' | 109.4° | 110.0° |
| C5' | C4' | C3' | 109.6° | 109.9° |
| C5' | C4' | H6 | 109.3° | 109.8° |
| C4' | C5' | H7 | 109.4° | 109.5° |
| C4' | C5' | H8 | 109.3° | 109.5° |
| O4' | C4' | C3' | 109.3° | 107.3° |
| O4' | C4' | H6 | 110.6° | 109.9° |
| O01 | C3' | C4' | 112.1° | 110.5° |
| O01 | C3' | N01 | 108.2° | 110.5° |
| C3' | O01 | H14 | 109.5° | 114.0° |
| C4' | C3' | N01 | 106.1° | 110.5° |
| C3' | C4' | H6 | 108.6° | 109.9° |
| C3' | N01 | H9 | 109.5° | 111.0° |
| C3' | N01 | H10 | 109.5° | 111.0° |
| H4 | C2' | H5 | 109.5° | 110.9° |
| H7 | C5' | H8 | 109.5° | 109.4° |
| H9 | N01 | H10 | 109.5° | 111.1° |
| H12 | N4 | H13 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C4 | N3 | C5 | 179.9° | 180.0° |
| N4 | C4 | N3 | C2 | 180.0° | 180.0° |
| N4 | C4 | C5 | C6 | 180.0° | 179.9° |
| N4 | C4 | C5 | H1 | 0.1° | 0.0° |
| C4 | N4 | H12 | H13 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | N3 | C2 | O2 | 179.9° | 179.9° |
| C4 | N3 | C2 | N1 | 0.5° | 0.2° |
| N3 | C4 | C5 | H1 | 180.0° | 180.0° |
| N3 | C4 | N4 | H12 | 0.0° | 0.0° |
| N3 | C4 | N4 | H13 | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | N1 | 0.4° | 0.3° |
| C4 | C5 | C6 | H2 | 179.6° | 180.0° |
| C5 | C4 | N4 | H12 | 179.9° | 180.0° |
| C5 | C4 | N4 | H13 | 0.1° | 0.0° |
| N3 | C2 | O2 | N1 | 179.6° | 179.7° |
| N3 | C2 | N1 | C6 | 0.8° | 0.5° |
| N3 | C2 | N1 | C1' | 179.8° | 179.7° |
| C5 | C6 | N1 | C2 | 0.8° | 0.5° |
| C5 | C6 | N1 | H2 | 180.0° | 179.7° |
| C5 | C6 | N1 | C1' | 179.8° | 179.7° |
| O2 | C2 | N1 | C6 | 179.5° | 179.8° |
| O2 | C2 | N1 | C1' | 0.5° | 0.0° |
| C2 | N1 | C6 | C1' | 179.0° | 179.8° |
| C2 | N1 | C1' | C2' | 95.0° | 65.0° |
| C2 | N1 | C1' | O4' | 142.4° | 49.1° |
| C2 | N1 | C6 | H2 | 179.2° | 179.7° |
| C2 | N1 | C1' | H3 | 25.6° | 172.0° |
| C6 | N1 | C1' | C2' | 84.0° | 115.2° |
| C6 | N1 | C1' | O4' | 38.6° | 130.7° |
| N1 | C6 | C5 | H1 | 179.6° | 179.8° |
| C6 | N1 | C1' | H3 | 155.4° | 7.7° |
| N1 | C1' | C2' | O4' | 125.6° | 118.5° |
| N1 | C1' | C2' | H3 | 121.3° | 123.0° |
| N1 | C1' | O4' | H3 | 117.1° | 123.0° |
| N1 | C1' | C2' | C3' | 141.4° | 155.5° |
| N1 | C1' | O4' | C4' | 126.5° | 158.6° |
| C1' | N1 | C6 | H2 | 0.2° | 0.0° |
| N1 | C1' | C2' | H4 | 98.8° | 86.3° |
| N1 | C1' | C2' | H5 | 21.7° | 37.4° |
| O2B | PB | O1B | O3B | 109.5° | 120.0° |
| O2B | PB | O1B | O3A | 125.8° | 120.0° |
| O2B | PB | O3B | O3A | 125.4° | 120.0° |
| O2B | PB | O3A | PA | 86.4° | 40.0° |
| O2B | PB | O1B | H15 | 0.0° | 60.1° |
| O2B | PB | O3B | H17 | 0.0° | 180.0° |
| O1B | PB | O3B | O3A | 125.0° | 120.0° |
| O1B | PB | O3A | PA | 34.1° | 160.0° |
| O1B | PB | O3B | H17 | 109.6° | 60.0° |
| O1A | PA | O3A | PB | 33.7° | 40.0° |
| O1A | PA | O2A | O3A | 119.8° | 120.0° |
| O1A | PA | O2A | O5' | 118.2° | 120.0° |
| O1A | PA | O3A | O5' | 124.7° | 120.0° |
| O1A | PA | O5' | C5' | 14.4° | 55.0° |
| O1A | PA | O2A | H16 | 0.0° | 180.0° |
| O3B | PB | O3A | PA | 153.7° | 80.0° |
| O3B | PB | O1B | H15 | 109.5° | 59.9° |
| PB | O3A | PA | O2A | 79.8° | 80.0° |
| PB | O3A | PA | O5' | 158.3° | 160.0° |
| O3A | PB | O1B | H15 | 125.9° | 180.0° |
| O3A | PB | O3B | H17 | 125.4° | 60.0° |
| C2' | C1' | O4' | H3 | 112.5° | 118.5° |
| C1' | C2' | C3' | H4 | 119.8° | 118.2° |
| C1' | C2' | C3' | H5 | 119.8° | 118.2° |
| C2' | C1' | O4' | C4' | 3.8° | 40.0° |
| C1' | C2' | C3' | O01 | 143.7° | 139.5° |
| C1' | C2' | C3' | C4' | 26.7° | 20.9° |
| C1' | C2' | C3' | N01 | 89.0° | 97.8° |
| C1' | C2' | H4 | H5 | 120.7° | 123.7° |
| O4' | C1' | C2' | C3' | 15.9° | 37.0° |
| C1' | O4' | C4' | C5' | 98.1° | 146.0° |
| C1' | O4' | C4' | C3' | 21.9° | 26.5° |
| O4' | C1' | C2' | H4 | 135.6° | 155.2° |
| O4' | C1' | C2' | H5 | 103.9° | 81.1° |
| C1' | O4' | C4' | H6 | 141.4° | 93.0° |
| C2' | C3' | C4' | C5' | 90.1° | 121.6° |
| C2' | C3' | C4' | O4' | 29.8° | 2.0° |
| C2' | C3' | O01 | C4' | 108.2° | 114.7° |
| C2' | C3' | O01 | N01 | 135.1° | 122.7° |
| C2' | C3' | C4' | N01 | 127.8° | 118.7° |
| C3' | C2' | C1' | H3 | 97.3° | 81.5° |
| C3' | C2' | H4 | H5 | 120.7° | 123.6° |
| C2' | C3' | C4' | H6 | 150.6° | 117.4° |
| C2' | C3' | N01 | H9 | 180.0° | 61.4° |
| C2' | C3' | N01 | H10 | 60.0° | 174.5° |
| C2' | C3' | O01 | H14 | 180.0° | 61.4° |
| O2A | PA | O3A | O5' | 121.9° | 120.0° |
| O2A | PA | O5' | C5' | 125.9° | 65.0° |
| O3A | PA | O5' | C5' | 110.4° | 175.0° |
| O3A | PA | O2A | H16 | 119.8° | 60.0° |
| PA | O5' | C5' | C4' | 123.1° | 180.0° |
| PA | O5' | C5' | H7 | 3.1° | 59.9° |
| PA | O5' | C5' | H8 | 116.8° | 60.0° |
| O5' | PA | O2A | H16 | 118.2° | 60.0° |
| O5' | C5' | C4' | H7 | 120.1° | 120.0° |
| O5' | C5' | C4' | H8 | 120.1° | 120.0° |
| O5' | C5' | C4' | O4' | 91.2° | 67.1° |
| O5' | C5' | C4' | C3' | 148.9° | 175.0° |
| O5' | C5' | C4' | H6 | 30.0° | 54.0° |
| O5' | C5' | H7 | H8 | 119.8° | 119.9° |
| C5' | C4' | O4' | C3' | 120.0° | 119.5° |
| C5' | C4' | O4' | H6 | 120.5° | 121.0° |
| C5' | C4' | C3' | O01 | 24.1° | 2.9° |
| C5' | C4' | C3' | H6 | 119.4° | 120.9° |
| C5' | C4' | C3' | N01 | 142.1° | 119.7° |
| C4' | C5' | H7 | H8 | 119.8° | 120.0° |
| O4' | C4' | C3' | O01 | 144.1° | 116.7° |
| O4' | C4' | C3' | H6 | 120.7° | 119.5° |
| O4' | C4' | C3' | N01 | 98.0° | 120.7° |
| C4' | O4' | C1' | H3 | 116.3° | 78.4° |
| O4' | C4' | C5' | H7 | 28.9° | 172.9° |
| O4' | C4' | C5' | H8 | 148.7° | 53.0° |
| O01 | C3' | C4' | N01 | 117.9° | 122.6° |
| O01 | C3' | C2' | H4 | 96.6° | 102.3° |
| O01 | C3' | C2' | H5 | 23.9° | 21.3° |
| O01 | C3' | C4' | H6 | 95.2° | 123.9° |
| O01 | C3' | N01 | H9 | 52.6° | 61.2° |
| O01 | C3' | N01 | H10 | 172.6° | 62.8° |
| C4' | C3' | C2' | H4 | 146.4° | 139.1° |
| C4' | C3' | C2' | H5 | 93.1° | 97.3° |
| C3' | C4' | C5' | H7 | 91.0° | 55.0° |
| C3' | C4' | C5' | H8 | 28.9° | 65.0° |
| C4' | C3' | N01 | H9 | 67.9° | 176.2° |
| C4' | C3' | N01 | H10 | 52.1° | 59.8° |
| C4' | C3' | O01 | H14 | 71.8° | 176.1° |
| N01 | C3' | C2' | H4 | 30.7° | 20.4° |
| N01 | C3' | C2' | H5 | 151.2° | 144.0° |
| N01 | C3' | C4' | H6 | 22.7° | 1.3° |
| C3' | N01 | H9 | H10 | 120.0° | 124.0° |
| N01 | C3' | O01 | H14 | 44.9° | 61.3° |
| H1 | C5 | C6 | H2 | 0.4° | 0.0° |
| H3 | C1' | C2' | H4 | 22.5° | 36.7° |
| H3 | C1' | C2' | H5 | 142.9° | 160.4° |
| H6 | C4' | C5' | H7 | 150.1° | 66.0° |
| H6 | C4' | C5' | H8 | 90.1° | 174.0° |
