QSQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| F25 | C23 | sing | 1.40Å | 1.37Å | |
| O2' | C23 | sing | 1.43Å | 1.40Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C23 | F26 | sing | 1.40Å | 1.37Å | |
| C23 | F24 | sing | 1.40Å | 1.37Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | C1' | sing | 1.54Å | 1.53Å | |
| C3' | C4' | sing | 1.55Å | 1.52Å | |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C1' | N9 | sing | 1.47Å | 1.48Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| N1 | C6 | doub | 1.33Å | 1.32Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.32Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.45Å | |
| O5' | P | sing | 1.61Å | 1.60Å | |
| C5 | N7 | sing | 1.35Å | 1.34Å | Aromatic |
| OP1 | P | sing | 1.61Å | 1.51Å | |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| C1' | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | H9 | sing | 0.97Å | 1.00Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| OP1 | H12 | sing | 0.97Å | 0.95Å | |
| OP2 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3' | C3' | C2' | 113.3° | 110.6° |
| O3' | C3' | C4' | 112.6° | 110.5° |
| O3' | C3' | H4 | 110.1° | 110.5° |
| C3' | O3' | H11 | 109.5° | 114.1° |
| F25 | C23 | O2' | 105.6° | 109.4° |
| F25 | C23 | F26 | 107.6° | 109.5° |
| F25 | C23 | F24 | 107.8° | 109.5° |
| C23 | O2' | C2' | 127.5° | 114.0° |
| O2' | C23 | F26 | 112.6° | 109.4° |
| O2' | C23 | F24 | 111.6° | 109.5° |
| O2' | C2' | C3' | 111.1° | 110.5° |
| O2' | C2' | C1' | 112.4° | 110.5° |
| O2' | C2' | H3 | 111.3° | 110.6° |
| F26 | C23 | F24 | 111.3° | 109.5° |
| C3' | C2' | C1' | 101.8° | 104.1° |
| C2' | C3' | C4' | 103.2° | 104.1° |
| C3' | C2' | H3 | 110.0° | 110.6° |
| C2' | C3' | H4 | 108.7° | 110.5° |
| C2' | C1' | N9 | 110.6° | 110.4° |
| C2' | C1' | O4' | 107.9° | 104.8° |
| C2' | C1' | H1 | 109.2° | 110.5° |
| C1' | C2' | H3 | 109.8° | 110.5° |
| C3' | C4' | C5' | 115.7° | 110.4° |
| C3' | C4' | O4' | 104.5° | 104.8° |
| C4' | C3' | H4 | 108.7° | 110.5° |
| C3' | C4' | H5 | 108.6° | 110.3° |
| N3 | C2 | N1 | 121.5° | 122.5° |
| C2 | N3 | C4 | 121.5° | 120.6° |
| N3 | C2 | H2 | 119.2° | 118.7° |
| C2 | N1 | C6 | 121.0° | 121.2° |
| N1 | C2 | H2 | 119.3° | 118.8° |
| N3 | C4 | N9 | 135.5° | 134.9° |
| N3 | C4 | C5 | 118.0° | 119.1° |
| C5' | C4' | O4' | 109.7° | 110.4° |
| C4' | C5' | O5' | 111.5° | 109.5° |
| C5' | C4' | H5 | 108.7° | 110.3° |
| C4' | C5' | H6 | 108.9° | 109.5° |
| C4' | C5' | H7 | 109.0° | 109.5° |
| C4' | O4' | C1' | 110.3° | 105.3° |
| O4' | C4' | H5 | 109.5° | 110.5° |
| N9 | C1' | O4' | 108.3° | 110.4° |
| C1' | N9 | C4 | 125.7° | 126.2° |
| C1' | N9 | C8 | 125.6° | 126.3° |
| N9 | C1' | H1 | 109.9° | 110.3° |
| O4' | C1' | H1 | 110.9° | 110.3° |
| N1 | C6 | C5 | 118.8° | 118.4° |
| N1 | C6 | N6 | 120.5° | 120.8° |
| N9 | C4 | C5 | 106.5° | 106.0° |
| C4 | N9 | C8 | 108.7° | 107.5° |
| C4 | C5 | C6 | 119.2° | 118.2° |
| C4 | C5 | N7 | 107.1° | 107.1° |
| N9 | C8 | N7 | 109.2° | 110.0° |
| N9 | C8 | H8 | 125.4° | 125.0° |
| C5' | O5' | P | 121.0° | 123.0° |
| O5' | C5' | H6 | 109.0° | 109.5° |
| O5' | C5' | H7 | 108.9° | 109.5° |
| C5 | C6 | N6 | 120.6° | 120.8° |
| C6 | C5 | N7 | 133.7° | 134.7° |
| C6 | N6 | H9 | 109.5° | 120.0° |
| C6 | N6 | H10 | 109.5° | 120.1° |
| O5' | P | OP1 | 108.4° | 102.0° |
| O5' | P | OP2 | 107.7° | 102.0° |
| C5 | N7 | C8 | 108.4° | 109.4° |
| OP1 | P | OP2 | 119.6° | 102.0° |
| P | OP1 | H12 | 109.5° | 114.0° |
| N7 | C8 | H8 | 125.4° | 125.0° |
| P | OP2 | H13 | 109.5° | 114.0° |
| H6 | C5' | H7 | 109.5° | 109.4° |
| H9 | N6 | H10 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3' | C3' | C2' | O2' | 35.8° | 0.0° |
| O3' | C3' | C2' | C4' | 122.0° | 118.7° |
| O3' | C3' | C2' | H4 | 122.8° | 122.7° |
| O3' | C3' | C2' | C1' | 155.7° | 118.6° |
| O3' | C3' | C4' | H4 | 122.3° | 122.6° |
| O3' | C3' | C4' | C5' | 83.9° | 98.5° |
| O3' | C3' | C4' | O4' | 155.4° | 142.7° |
| O3' | C3' | C2' | H3 | 87.9° | 122.8° |
| O3' | C3' | C4' | H5 | 38.6° | 23.7° |
| F25 | C23 | O2' | F26 | 117.2° | 120.0° |
| F25 | C23 | O2' | F24 | 116.9° | 120.0° |
| F25 | C23 | O2' | C2' | 178.2° | 180.0° |
| F25 | C23 | F26 | F24 | 117.9° | 120.1° |
| O2' | C23 | F26 | F24 | 126.1° | 120.0° |
| C23 | O2' | C2' | C3' | 111.9° | 91.5° |
| C23 | O2' | C2' | C1' | 1.5° | 153.9° |
| C23 | O2' | C2' | H3 | 125.2° | 31.2° |
| C2' | O2' | C23 | F26 | 61.0° | 60.0° |
| C2' | O2' | C23 | F24 | 64.9° | 60.0° |
| O2' | C2' | C3' | C1' | 119.8° | 118.6° |
| O2' | C2' | C3' | H3 | 123.7° | 122.8° |
| O2' | C2' | C1' | H3 | 124.5° | 122.7° |
| O2' | C2' | C3' | C4' | 86.2° | 118.6° |
| O2' | C2' | C1' | N9 | 146.1° | 98.6° |
| O2' | C2' | C1' | O4' | 95.6° | 142.6° |
| O2' | C2' | C1' | H1 | 25.0° | 23.7° |
| O2' | C2' | C3' | H4 | 158.6° | 122.7° |
| C3' | C2' | C1' | H3 | 116.5° | 118.7° |
| C2' | C3' | C4' | H4 | 115.3° | 118.7° |
| C2' | C3' | C4' | C5' | 153.6° | 142.8° |
| C2' | C3' | C4' | O4' | 32.9° | 24.0° |
| C3' | C2' | C1' | N9 | 94.9° | 142.8° |
| C3' | C2' | C1' | O4' | 23.3° | 24.0° |
| C3' | C2' | C1' | H1 | 144.0° | 94.9° |
| C2' | C3' | C4' | H5 | 83.8° | 95.0° |
| C2' | C3' | O3' | H11 | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 33.7° | 0.0° |
| C2' | C1' | O4' | C4' | 3.0° | 40.5° |
| C2' | C1' | N9 | O4' | 118.0° | 115.4° |
| C2' | C1' | N9 | H1 | 120.7° | 122.4° |
| C2' | C1' | O4' | H1 | 119.6° | 119.0° |
| C2' | C1' | N9 | C4 | 80.1° | 88.2° |
| C2' | C1' | N9 | C8 | 97.9° | 91.8° |
| C1' | C2' | C3' | H4 | 81.6° | 118.7° |
| C3' | C4' | C5' | O4' | 117.8° | 115.4° |
| C3' | C4' | C5' | H5 | 122.5° | 122.2° |
| C3' | C4' | O4' | H5 | 116.1° | 118.8° |
| C3' | C4' | O4' | C1' | 18.9° | 40.5° |
| C3' | C4' | C5' | O5' | 49.0° | 175.0° |
| C4' | C3' | C2' | H3 | 150.1° | 118.6° |
| C3' | C4' | C5' | H6 | 169.3° | 55.0° |
| C3' | C4' | C5' | H7 | 71.3° | 65.0° |
| C4' | C3' | O3' | H11 | 63.4° | 65.3° |
| N3 | C2 | N1 | H2 | 180.0° | 179.7° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N3 | C4 | N9 | 179.6° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| N3 | C4 | N9 | C1' | 1.5° | 0.0° |
| N3 | C4 | N9 | C5 | 179.5° | 180.0° |
| N3 | C4 | N9 | C8 | 179.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| C4 | N3 | C2 | H2 | 179.9° | 179.7° |
| C5' | C4' | O4' | H5 | 119.2° | 122.3° |
| C5' | C4' | O4' | C1' | 143.5° | 159.3° |
| C4' | C5' | O5' | H6 | 120.3° | 120.1° |
| C4' | C5' | O5' | H7 | 120.3° | 120.0° |
| C4' | C5' | O5' | P | 174.5° | 180.0° |
| C5' | C4' | C3' | H4 | 38.3° | 24.2° |
| C4' | C5' | H6 | H7 | 119.1° | 120.0° |
| C4' | O4' | C1' | N9 | 116.8° | 159.3° |
| O4' | C4' | C5' | O5' | 68.9° | 69.6° |
| C4' | O4' | C1' | H1 | 122.5° | 78.5° |
| O4' | C4' | C3' | H4 | 82.4° | 94.7° |
| O4' | C4' | C5' | H6 | 51.4° | 170.4° |
| O4' | C4' | C5' | H7 | 170.8° | 50.4° |
| N9 | C1' | O4' | H1 | 120.7° | 122.2° |
| C1' | N9 | C4 | C8 | 178.3° | 180.0° |
| C1' | N9 | C4 | C5 | 179.0° | 180.0° |
| C1' | N9 | C8 | N7 | 179.1° | 180.0° |
| N9 | C1' | C2' | H3 | 21.6° | 24.1° |
| C1' | N9 | C8 | H8 | 1.0° | 0.0° |
| O4' | C1' | N9 | C4 | 161.9° | 156.4° |
| O4' | C1' | N9 | C8 | 20.1° | 23.6° |
| O4' | C1' | C2' | H3 | 139.8° | 94.7° |
| C1' | O4' | C4' | H5 | 97.2° | 78.4° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N6 | 179.9° | 180.0° |
| N1 | C6 | C5 | N7 | 180.0° | 179.9° |
| C6 | N1 | C2 | H2 | 179.9° | 179.7° |
| N1 | C6 | N6 | H9 | 0.0° | 180.0° |
| N1 | C6 | N6 | H10 | 120.0° | 0.0° |
| N9 | C4 | C5 | C6 | 179.6° | 180.0° |
| N9 | C4 | C5 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | N7 | 0.8° | 0.0° |
| C4 | N9 | C1' | H1 | 40.6° | 34.2° |
| C4 | N9 | C8 | H8 | 179.3° | 180.0° |
| C5 | C4 | N9 | C8 | 0.7° | 0.0° |
| C4 | C5 | C6 | N7 | 179.9° | 179.9° |
| C4 | C5 | C6 | N6 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.1° |
| N9 | C8 | N7 | C5 | 0.6° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | N9 | C1' | H1 | 141.4° | 145.8° |
| C5' | O5' | P | OP1 | 53.4° | 89.8° |
| C5' | O5' | P | OP2 | 175.9° | 165.0° |
| O5' | C5' | C4' | H5 | 171.4° | 52.8° |
| O5' | C5' | H6 | H7 | 119.1° | 119.9° |
| C6 | C5 | N7 | C8 | 180.0° | 180.0° |
| C5 | C6 | N6 | H9 | 179.9° | 0.0° |
| C5 | C6 | N6 | H10 | 60.1° | 180.0° |
| N6 | C6 | C5 | N7 | 0.1° | 0.1° |
| C6 | N6 | H9 | H10 | 120.0° | 180.0° |
| O5' | P | OP1 | OP2 | 123.9° | 105.2° |
| P | O5' | C5' | H6 | 54.2° | 59.9° |
| P | O5' | C5' | H7 | 65.2° | 60.0° |
| O5' | P | OP1 | H12 | 180.0° | 180.0° |
| O5' | P | OP2 | H13 | 180.0° | 180.0° |
| C5 | N7 | C8 | H8 | 179.5° | 180.0° |
| OP1 | P | OP2 | H13 | 55.8° | 74.8° |
| OP2 | P | OP1 | H12 | 56.0° | 74.8° |
| H1 | C1' | C2' | H3 | 99.5° | 146.4° |
| H3 | C2' | C3' | H4 | 34.8° | 0.1° |
| H4 | C3' | C4' | H5 | 160.9° | 146.4° |
| H4 | C3' | O3' | H11 | 58.0° | 57.3° |
| H5 | C4' | C5' | H6 | 68.2° | 67.2° |
| H5 | C4' | C5' | H7 | 51.1° | 172.8° |
