71V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.34Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| N7 | C5 | sing | 1.36Å | 1.32Å | Aromatic |
| C2' | C1' | sing | 1.55Å | 1.56Å | |
| C2' | C3' | sing | 1.55Å | 1.50Å | |
| N9 | C1' | sing | 1.46Å | 1.53Å | |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.56Å | |
| C5 | C4 | doub | 1.40Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.34Å | Aromatic |
| S | C6 | sing | 1.76Å | 1.75Å | |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C6 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| O1A | PA | doub | 1.48Å | 1.49Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C2 | N2 | sing | 1.39Å | 1.32Å | |
| O5' | PA | sing | 1.61Å | 1.66Å | |
| PA | O3A | sing | 1.61Å | 1.61Å | |
| PA | O2A | sing | 1.61Å | 1.49Å | |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| O3A | H4 | sing | 0.97Å | 0.95Å | |
| O2A | H5 | sing | 0.97Å | 0.95Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C4' | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| O2' | H12 | sing | 0.97Å | 0.95Å | |
| C1' | H13 | sing | 1.09Å | 1.10Å | |
| S | H14 | sing | 1.41Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2' | C2' | C1' | 113.4° | 110.9° |
| O2' | C2' | C3' | 109.5° | 110.9° |
| O2' | C2' | H11 | 111.1° | 110.8° |
| C2' | O2' | H12 | 109.5° | 114.0° |
| N7 | C8 | N9 | 109.7° | 109.9° |
| C8 | N7 | C5 | 107.5° | 109.5° |
| N7 | C8 | H3 | 125.2° | 125.1° |
| C8 | N9 | C1' | 125.3° | 126.3° |
| C8 | N9 | C4 | 106.7° | 107.4° |
| N9 | C8 | H3 | 125.1° | 125.0° |
| O3' | C3' | C2' | 112.3° | 110.6° |
| O3' | C3' | C4' | 111.5° | 110.5° |
| O3' | C3' | H9 | 111.0° | 110.4° |
| C3' | O3' | H10 | 109.5° | 114.0° |
| N7 | C5 | C4 | 108.1° | 107.1° |
| N7 | C5 | C6 | 130.4° | 134.6° |
| C1' | C2' | C3' | 102.9° | 102.1° |
| C2' | C1' | N9 | 112.9° | 110.6° |
| C2' | C1' | O4' | 102.9° | 103.5° |
| C1' | C2' | H11 | 109.5° | 110.9° |
| C2' | C1' | H13 | 108.8° | 110.6° |
| C2' | C3' | C4' | 102.2° | 104.2° |
| C2' | C3' | H9 | 110.2° | 110.5° |
| C3' | C2' | H11 | 110.2° | 110.9° |
| C1' | N9 | C4 | 128.1° | 126.3° |
| N9 | C1' | O4' | 112.4° | 110.6° |
| N9 | C1' | H13 | 109.1° | 110.7° |
| N9 | C4 | C5 | 108.0° | 106.1° |
| N9 | C4 | N3 | 131.8° | 134.8° |
| C1' | O4' | C4' | 104.0° | 107.0° |
| O4' | C1' | H13 | 110.6° | 110.6° |
| C3' | C4' | O4' | 108.4° | 107.3° |
| C3' | C4' | C5' | 113.0° | 109.9° |
| C3' | C4' | H8 | 109.1° | 110.0° |
| C4' | C3' | H9 | 109.4° | 110.5° |
| C4 | C5 | C6 | 121.5° | 118.3° |
| C5 | C4 | N3 | 120.2° | 119.1° |
| C5 | C6 | S | 120.8° | 120.7° |
| C5 | C6 | N1 | 118.8° | 118.6° |
| S | C6 | N1 | 120.4° | 120.7° |
| C6 | S | H14 | 102.0° | 100.0° |
| C4 | N3 | C2 | 117.6° | 120.6° |
| O4' | C4' | C5' | 106.0° | 109.9° |
| O4' | C4' | H8 | 110.8° | 109.9° |
| C4' | C5' | O5' | 109.8° | 109.5° |
| C4' | C5' | H6 | 109.4° | 109.5° |
| C4' | C5' | H7 | 109.4° | 109.5° |
| C5' | C4' | H8 | 109.4° | 109.9° |
| C6 | N1 | C2 | 120.3° | 121.1° |
| N3 | C2 | N1 | 121.5° | 122.3° |
| N3 | C2 | N2 | 119.3° | 118.8° |
| N1 | C2 | N2 | 119.3° | 118.9° |
| O1A | PA | O5' | 107.8° | 109.5° |
| O1A | PA | O3A | 105.9° | 109.5° |
| O1A | PA | O2A | 120.6° | 109.5° |
| C5' | O5' | PA | 118.0° | 123.0° |
| O5' | C5' | H6 | 109.4° | 109.4° |
| O5' | C5' | H7 | 109.4° | 109.5° |
| C2 | N2 | H1 | 109.5° | 120.0° |
| C2 | N2 | H2 | 109.5° | 120.0° |
| O5' | PA | O3A | 102.4° | 109.4° |
| O5' | PA | O2A | 108.5° | 109.5° |
| O3A | PA | O2A | 110.1° | 109.5° |
| PA | O3A | H4 | 109.5° | 114.1° |
| PA | O2A | H5 | 109.5° | 114.0° |
| H1 | N2 | H2 | 109.4° | 120.0° |
| H6 | C5' | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2' | C2' | C3' | O3' | 23.1° | 20.3° |
| O2' | C2' | C1' | C3' | 118.2° | 118.2° |
| O2' | C2' | C1' | H11 | 124.7° | 123.6° |
| O2' | C2' | C3' | H11 | 122.5° | 123.6° |
| O2' | C2' | C1' | N9 | 79.2° | 86.3° |
| O2' | C2' | C1' | O4' | 159.4° | 155.2° |
| O2' | C2' | C3' | C4' | 142.6° | 139.1° |
| O2' | C2' | C3' | H9 | 101.2° | 102.2° |
| O2' | C2' | C1' | H13 | 42.1° | 36.7° |
| N7 | C8 | N9 | H3 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 179.5° | 179.9° |
| N7 | C8 | N9 | C4 | 0.1° | 0.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| C8 | N7 | C5 | C6 | 179.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.0° |
| C8 | N9 | C1' | C2' | 112.1° | 95.0° |
| C8 | N9 | C1' | C4 | 179.2° | 179.9° |
| C8 | N9 | C1' | O4' | 132.1° | 19.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.0° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C8 | N9 | C1' | H13 | 9.0° | 142.0° |
| O3' | C3' | C2' | C1' | 97.8° | 97.9° |
| O3' | C3' | C2' | C4' | 119.6° | 118.8° |
| O3' | C3' | C2' | H9 | 124.2° | 122.6° |
| O3' | C3' | C4' | H9 | 123.1° | 122.5° |
| O3' | C3' | C4' | O4' | 123.9° | 120.9° |
| O3' | C3' | C4' | C5' | 119.0° | 119.7° |
| O3' | C3' | C4' | H8 | 3.0° | 1.4° |
| O3' | C3' | C2' | H11 | 145.5° | 143.9° |
| N7 | C5 | C4 | N9 | 0.0° | 0.0° |
| N7 | C5 | C4 | C6 | 179.1° | 180.0° |
| N7 | C5 | C6 | S | 0.6° | 0.0° |
| N7 | C5 | C4 | N3 | 180.0° | 180.0° |
| N7 | C5 | C6 | N1 | 179.8° | 180.0° |
| C5 | N7 | C8 | H3 | 179.9° | 180.0° |
| C1' | C2' | C3' | H11 | 116.6° | 118.2° |
| C2' | C1' | N9 | O4' | 115.8° | 114.0° |
| C2' | C1' | N9 | H13 | 121.1° | 123.0° |
| C2' | C1' | N9 | C4 | 67.2° | 85.1° |
| C2' | C1' | O4' | H13 | 116.0° | 118.5° |
| C1' | C2' | C3' | C4' | 21.7° | 20.9° |
| C2' | C1' | O4' | C4' | 43.7° | 40.1° |
| C1' | C2' | C3' | H9 | 137.9° | 139.6° |
| C1' | C2' | O2' | H12 | 180.0° | 179.9° |
| C3' | C2' | C1' | N9 | 162.6° | 155.5° |
| C3' | C2' | C1' | O4' | 41.3° | 37.0° |
| C2' | C3' | C4' | H9 | 116.7° | 118.7° |
| C2' | C3' | C4' | O4' | 3.7° | 2.0° |
| C2' | C3' | C4' | C5' | 120.8° | 121.5° |
| C2' | C3' | C4' | H8 | 117.1° | 117.5° |
| C2' | C3' | O3' | H10 | 180.0° | 65.1° |
| C3' | C2' | O2' | H12 | 65.7° | 67.4° |
| C3' | C2' | C1' | H13 | 76.1° | 81.5° |
| N9 | C1' | O4' | H13 | 122.3° | 123.0° |
| C1' | N9 | C4 | C5 | 179.5° | 179.9° |
| C1' | N9 | C4 | N3 | 0.6° | 0.1° |
| N9 | C1' | O4' | C4' | 165.4° | 158.6° |
| C1' | N9 | C8 | H3 | 0.5° | 0.0° |
| N9 | C1' | C2' | H11 | 45.5° | 37.2° |
| C4 | N9 | C1' | O4' | 48.6° | 160.9° |
| N9 | C4 | C5 | N3 | 180.0° | 180.0° |
| N9 | C4 | C5 | C6 | 179.1° | 180.0° |
| N9 | C4 | N3 | C2 | 179.0° | 180.0° |
| C4 | N9 | C8 | H3 | 179.9° | 179.9° |
| C4 | N9 | C1' | H13 | 171.7° | 37.9° |
| C1' | O4' | C4' | C3' | 30.3° | 26.5° |
| C1' | O4' | C4' | C5' | 151.9° | 146.0° |
| C1' | O4' | C4' | H8 | 89.5° | 93.0° |
| O4' | C1' | C2' | H11 | 75.9° | 81.2° |
| C3' | C4' | O4' | C5' | 121.6° | 119.4° |
| C3' | C4' | O4' | H8 | 119.8° | 119.5° |
| C3' | C4' | C5' | H8 | 121.9° | 121.1° |
| C3' | C4' | C5' | O5' | 38.4° | 175.7° |
| C3' | C4' | C5' | H6 | 158.4° | 64.3° |
| C3' | C4' | C5' | H7 | 81.7° | 55.7° |
| C4' | C3' | O3' | H10 | 66.0° | 180.0° |
| C4' | C3' | C2' | H11 | 94.9° | 97.3° |
| C4 | C5 | C6 | S | 179.5° | 180.0° |
| C4 | C5 | C6 | N1 | 0.9° | 0.0° |
| C5 | C4 | N3 | C2 | 1.0° | 0.1° |
| C5 | C6 | S | N1 | 179.6° | 180.0° |
| C6 | C5 | C4 | N3 | 0.9° | 0.0° |
| C5 | C6 | N1 | C2 | 1.1° | 0.0° |
| C5 | C6 | S | H14 | 179.6° | 90.0° |
| S | C6 | N1 | C2 | 179.4° | 180.0° |
| C4 | N3 | C2 | N1 | 1.2° | 0.1° |
| C4 | N3 | C2 | N2 | 178.9° | 180.0° |
| O4' | C4' | C5' | H8 | 119.6° | 121.0° |
| O4' | C4' | C5' | O5' | 80.2° | 66.5° |
| O4' | C4' | C5' | H6 | 39.8° | 53.5° |
| O4' | C4' | C5' | H7 | 159.8° | 173.5° |
| O4' | C4' | C3' | H9 | 113.0° | 116.7° |
| C4' | O4' | C1' | H13 | 72.4° | 78.4° |
| C4' | C5' | O5' | H6 | 120.0° | 119.9° |
| C4' | C5' | O5' | H7 | 120.1° | 120.0° |
| C4' | C5' | O5' | PA | 121.3° | 180.0° |
| C4' | C5' | H6 | H7 | 119.9° | 120.0° |
| C5' | C4' | C3' | H9 | 4.1° | 2.8° |
| C6 | N1 | C2 | N3 | 1.3° | 0.1° |
| C6 | N1 | C2 | N2 | 178.8° | 180.0° |
| N1 | C6 | S | H14 | 0.0° | 90.0° |
| N3 | C2 | N1 | N2 | 179.9° | 179.9° |
| N3 | C2 | N2 | H1 | 0.0° | 179.9° |
| N3 | C2 | N2 | H2 | 120.0° | 0.0° |
| N1 | C2 | N2 | H1 | 179.9° | 0.0° |
| N1 | C2 | N2 | H2 | 60.1° | 179.9° |
| O1A | PA | O5' | C5' | 56.1° | 55.0° |
| O1A | PA | O5' | O3A | 111.4° | 120.0° |
| O1A | PA | O5' | O2A | 132.2° | 120.0° |
| O1A | PA | O3A | O2A | 131.9° | 120.0° |
| O1A | PA | O3A | H4 | 0.0° | 180.0° |
| O1A | PA | O2A | H5 | 0.0° | 60.0° |
| C5' | O5' | PA | O3A | 167.6° | 65.0° |
| C5' | O5' | PA | O2A | 76.1° | 175.0° |
| O5' | C5' | H6 | H7 | 119.8° | 120.0° |
| O5' | C5' | C4' | H8 | 160.2° | 54.6° |
| C2 | N2 | H1 | H2 | 120.0° | 180.0° |
| O5' | PA | O3A | O2A | 115.2° | 120.0° |
| O5' | PA | O3A | H4 | 112.9° | 60.0° |
| O5' | PA | O2A | H5 | 125.0° | 180.0° |
| PA | O5' | C5' | H6 | 118.7° | 60.0° |
| PA | O5' | C5' | H7 | 1.2° | 60.0° |
| O3A | PA | O2A | H5 | 123.7° | 60.0° |
| O2A | PA | O3A | H4 | 131.9° | 60.0° |
| H6 | C5' | C4' | H8 | 79.7° | 174.5° |
| H7 | C5' | C4' | H8 | 40.2° | 65.4° |
| H8 | C4' | C3' | H9 | 126.1° | 123.9° |
| H9 | C3' | O3' | H10 | 56.2° | 57.5° |
| H9 | C3' | C2' | H11 | 21.3° | 21.4° |
| H11 | C2' | O2' | H12 | 56.2° | 56.3° |
| H11 | C2' | C1' | H13 | 166.8° | 160.3° |
