QQX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | sing | 1.61Å | 1.54Å | |
| S1P | P | doub | 1.86Å | 1.92Å | |
| O5' | C5' | sing | 1.43Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C4' | O4' | sing | 1.44Å | 1.39Å | |
| C4' | C3' | sing | 1.54Å | 1.46Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.45Å | 1.35Å | |
| C3' | C2' | sing | 1.55Å | 1.49Å | |
| O3' | P | sing | 1.63Å | 1.52Å | |
| C2' | O2' | sing | 1.43Å | 1.38Å | |
| C2' | C1' | sing | 1.55Å | 1.48Å | |
| O2' | P | sing | 1.63Å | 1.54Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| N9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.45Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.43Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| OP3 | HP3 | sing | 0.97Å | 0.95Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | H61N | sing | 0.97Å | 1.00Å | |
| N6 | H62N | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP3 | P | S1P | 107.7° | 110.8° |
| OP3 | P | O3' | 111.5° | 110.9° |
| OP3 | P | O2' | 113.2° | 110.9° |
| P | OP3 | HP3 | 109.5° | 114.0° |
| S1P | P | O3' | 108.2° | 110.9° |
| S1P | P | O2' | 114.8° | 111.0° |
| O5' | C5' | C4' | 112.2° | 109.5° |
| C5' | O5' | H5' | 109.5° | 114.0° |
| O5' | C5' | H5'1 | 108.8° | 109.4° |
| O5' | C5' | H5'2 | 108.8° | 109.5° |
| C5' | C4' | O4' | 110.4° | 109.8° |
| C5' | C4' | C3' | 113.1° | 109.8° |
| C4' | C5' | H5'1 | 108.8° | 109.5° |
| C4' | C5' | H5'2 | 108.8° | 109.5° |
| C5' | C4' | H4' | 108.4° | 109.8° |
| O4' | C4' | C3' | 106.2° | 107.4° |
| C4' | O4' | C1' | 110.6° | 107.0° |
| O4' | C4' | H4' | 109.9° | 109.9° |
| C4' | C3' | O3' | 111.0° | 107.7° |
| C4' | C3' | C2' | 105.8° | 103.9° |
| C3' | C4' | H4' | 108.8° | 110.0° |
| C4' | C3' | H3' | 110.5° | 112.4° |
| O4' | C1' | C2' | 107.5° | 103.5° |
| O4' | C1' | N9 | 107.3° | 110.6° |
| O4' | C1' | H1' | 109.3° | 110.6° |
| O3' | C3' | C2' | 106.7° | 107.3° |
| C3' | O3' | P | 109.2° | 101.8° |
| O3' | C3' | H3' | 112.4° | 112.2° |
| C3' | C2' | O2' | 105.4° | 110.3° |
| C3' | C2' | C1' | 101.3° | 102.4° |
| C2' | C3' | H3' | 110.2° | 112.8° |
| C3' | C2' | H2' | 110.1° | 111.2° |
| O3' | P | O2' | 101.3° | 102.1° |
| O2' | C2' | C1' | 117.0° | 109.8° |
| C2' | O2' | P | 107.4° | 105.1° |
| O2' | C2' | H2' | 111.9° | 111.2° |
| C2' | C1' | N9 | 115.7° | 110.6° |
| C2' | C1' | H1' | 108.3° | 110.6° |
| C1' | C2' | H2' | 110.3° | 111.7° |
| C1' | N9 | C8 | 127.2° | 126.3° |
| C1' | N9 | C4 | 127.9° | 126.3° |
| N9 | C1' | H1' | 108.7° | 110.7° |
| C8 | N9 | C4 | 104.9° | 107.4° |
| N9 | C8 | N7 | 113.2° | 110.0° |
| N9 | C8 | H8 | 123.4° | 125.0° |
| N9 | C4 | C5 | 108.3° | 106.0° |
| N9 | C4 | N3 | 133.5° | 134.9° |
| C8 | N7 | C5 | 106.4° | 109.4° |
| N7 | C8 | H8 | 123.4° | 124.9° |
| N7 | C5 | C6 | 133.9° | 134.7° |
| N7 | C5 | C4 | 107.3° | 107.2° |
| C6 | C5 | C4 | 118.7° | 118.2° |
| C5 | C6 | N6 | 121.1° | 120.8° |
| C5 | C6 | N1 | 116.0° | 118.4° |
| C5 | C4 | N3 | 118.3° | 119.1° |
| C4 | N3 | C2 | 121.3° | 120.6° |
| N6 | C6 | N1 | 122.9° | 120.8° |
| C6 | N6 | H61N | 109.5° | 120.0° |
| C6 | N6 | H62N | 109.5° | 120.0° |
| C6 | N1 | C2 | 124.0° | 121.2° |
| N1 | C2 | N3 | 121.6° | 122.4° |
| N1 | C2 | H2 | 119.2° | 118.8° |
| N3 | C2 | H2 | 119.2° | 118.8° |
| H5'1 | C5' | H5'2 | 109.5° | 109.5° |
| H61N | N6 | H62N | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP3 | P | S1P | O3' | 120.6° | 123.6° |
| OP3 | P | S1P | O2' | 127.1° | 123.6° |
| OP3 | P | O3' | C3' | 127.7° | 152.6° |
| OP3 | P | O3' | O2' | 120.7° | 118.2° |
| OP3 | P | O2' | C2' | 105.6° | 139.0° |
| S1P | P | O3' | C3' | 114.0° | 83.8° |
| S1P | P | O3' | O2' | 121.1° | 118.3° |
| S1P | P | O2' | C2' | 130.1° | 97.4° |
| S1P | P | OP3 | HP3 | 0.0° | 60.0° |
| O5' | C5' | C4' | H5'1 | 120.4° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.4° | 120.0° |
| O5' | C5' | C4' | O4' | 52.6° | 66.5° |
| O5' | C5' | C4' | C3' | 66.2° | 175.7° |
| O5' | C5' | H5'1 | H5'2 | 118.8° | 119.9° |
| O5' | C5' | C4' | H4' | 173.1° | 54.6° |
| C5' | C4' | O4' | C3' | 122.9° | 119.4° |
| C5' | C4' | O4' | H4' | 119.5° | 121.0° |
| C5' | C4' | C3' | H4' | 120.5° | 121.0° |
| C5' | C4' | O4' | C1' | 114.8° | 145.9° |
| C5' | C4' | C3' | O3' | 147.1° | 124.8° |
| C5' | C4' | C3' | C2' | 97.5° | 121.6° |
| C4' | C5' | O5' | H5' | 180.0° | 180.0° |
| C4' | C5' | H5'1 | H5'2 | 118.7° | 120.0° |
| C5' | C4' | C3' | H3' | 21.7° | 0.7° |
| O4' | C4' | C3' | H4' | 118.3° | 119.6° |
| O4' | C4' | C3' | O3' | 91.7° | 115.8° |
| O4' | C4' | C3' | C2' | 23.7° | 2.2° |
| C4' | O4' | C1' | C2' | 10.9° | 39.9° |
| C4' | O4' | C1' | N9 | 135.9° | 158.4° |
| O4' | C4' | C5' | H5'1 | 173.1° | 53.5° |
| O4' | C4' | C5' | H5'2 | 67.7° | 173.6° |
| O4' | C4' | C3' | H3' | 142.9° | 120.1° |
| C4' | O4' | C1' | H1' | 106.4° | 78.6° |
| C3' | C4' | O4' | C1' | 8.1° | 26.5° |
| C4' | C3' | O3' | C2' | 114.9° | 111.4° |
| C4' | C3' | O3' | H3' | 124.3° | 124.2° |
| C4' | C3' | C2' | H3' | 119.5° | 122.0° |
| C4' | C3' | O3' | P | 138.6° | 146.7° |
| C4' | C3' | C2' | O2' | 151.3° | 137.5° |
| C4' | C3' | C2' | C1' | 28.9° | 20.7° |
| C3' | C4' | C5' | H5'1 | 54.2° | 64.3° |
| C3' | C4' | C5' | H5'2 | 173.4° | 55.7° |
| C4' | C3' | C2' | H2' | 87.9° | 98.7° |
| O4' | C1' | C2' | C3' | 24.4° | 36.9° |
| O4' | C1' | C2' | O2' | 138.3° | 154.0° |
| O4' | C1' | C2' | N9 | 119.8° | 118.5° |
| O4' | C1' | C2' | H1' | 117.9° | 118.5° |
| O4' | C1' | N9 | H1' | 118.1° | 123.0° |
| O4' | C1' | N9 | C8 | 67.7° | 23.5° |
| O4' | C1' | N9 | C4 | 110.4° | 156.7° |
| C1' | O4' | C4' | H4' | 125.6° | 93.1° |
| O4' | C1' | C2' | H2' | 92.3° | 82.1° |
| O3' | C3' | C2' | H3' | 122.2° | 124.0° |
| O3' | C3' | C2' | O2' | 33.0° | 23.6° |
| O3' | C3' | C2' | C1' | 89.4° | 93.2° |
| C3' | O3' | P | O2' | 7.0° | 34.5° |
| O3' | C3' | C4' | H4' | 26.6° | 3.8° |
| O3' | C3' | C2' | H2' | 153.9° | 147.4° |
| C2' | C3' | O3' | P | 23.8° | 35.3° |
| C3' | C2' | O2' | C1' | 111.7° | 112.1° |
| C3' | C2' | O2' | H2' | 119.7° | 123.8° |
| C3' | C2' | C1' | H2' | 116.7° | 119.0° |
| C3' | C2' | O2' | P | 27.8° | 0.3° |
| C3' | C2' | C1' | N9 | 144.1° | 155.4° |
| C2' | C3' | C4' | H4' | 142.0° | 117.4° |
| C3' | C2' | C1' | H1' | 93.6° | 81.6° |
| O3' | P | O2' | C2' | 13.8° | 20.8° |
| O3' | P | OP3 | HP3 | 118.6° | 63.6° |
| P | O3' | C3' | H3' | 97.0° | 89.1° |
| O2' | C2' | C1' | H2' | 129.4° | 123.8° |
| O2' | C2' | C1' | N9 | 101.9° | 87.5° |
| O2' | C2' | C3' | H3' | 89.2° | 100.4° |
| O2' | C2' | C1' | H1' | 20.4° | 35.5° |
| C1' | C2' | O2' | P | 83.9° | 112.4° |
| C2' | C1' | N9 | H1' | 122.0° | 123.0° |
| C2' | C1' | N9 | C8 | 52.2° | 90.5° |
| C2' | C1' | N9 | C4 | 129.7° | 89.2° |
| C1' | C2' | C3' | H3' | 148.4° | 142.8° |
| O2' | P | OP3 | HP3 | 128.0° | 176.3° |
| P | O2' | C2' | H2' | 147.5° | 123.4° |
| C1' | N9 | C8 | C4 | 178.4° | 179.8° |
| C1' | N9 | C8 | N7 | 179.3° | 180.0° |
| C1' | N9 | C4 | C5 | 179.3° | 179.9° |
| C1' | N9 | C4 | N3 | 1.5° | 0.7° |
| N9 | C1' | C2' | H2' | 27.5° | 36.3° |
| C1' | N9 | C8 | H8 | 0.7° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.4° | 0.0° |
| C8 | N9 | C4 | C5 | 0.9° | 0.3° |
| C8 | N9 | C4 | N3 | 179.9° | 179.6° |
| C8 | N9 | C1' | H1' | 174.3° | 146.5° |
| C4 | N9 | C8 | N7 | 0.9° | 0.2° |
| N9 | C4 | C5 | N7 | 0.8° | 0.3° |
| N9 | C4 | C5 | C6 | 179.9° | 179.9° |
| N9 | C4 | C5 | N3 | 179.3° | 179.4° |
| N9 | C4 | N3 | C2 | 179.9° | 179.7° |
| C4 | N9 | C1' | H1' | 7.7° | 33.7° |
| C4 | N9 | C8 | H8 | 179.1° | 179.8° |
| C8 | N7 | C5 | C6 | 179.4° | 180.0° |
| C8 | N7 | C5 | C4 | 0.2° | 0.2° |
| N7 | C5 | C6 | C4 | 179.1° | 179.8° |
| N7 | C5 | C4 | N3 | 180.0° | 179.7° |
| N7 | C5 | C6 | N6 | 0.3° | 0.0° |
| N7 | C5 | C6 | N1 | 179.5° | 179.9° |
| C5 | N7 | C8 | H8 | 179.6° | 180.0° |
| C6 | C5 | C4 | N3 | 0.6° | 0.5° |
| C5 | C6 | N6 | N1 | 179.8° | 179.9° |
| C5 | C6 | N1 | C2 | 0.3° | 0.1° |
| C5 | C6 | N6 | H61N | 179.8° | 0.1° |
| C5 | C6 | N6 | H62N | 59.8° | 179.9° |
| C4 | C5 | C6 | N6 | 179.4° | 179.7° |
| C4 | C5 | C6 | N1 | 0.4° | 0.2° |
| C5 | C4 | N3 | C2 | 0.8° | 0.5° |
| C4 | N3 | C2 | N1 | 0.8° | 0.3° |
| C4 | N3 | C2 | H2 | 179.3° | 179.7° |
| N6 | C6 | N1 | C2 | 179.5° | 180.0° |
| C6 | N6 | H61N | H62N | 120.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| N1 | C6 | N6 | H61N | 0.0° | 180.0° |
| N1 | C6 | N6 | H62N | 120.0° | 0.0° |
| C6 | N1 | C2 | H2 | 179.5° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| H5' | O5' | C5' | H5'1 | 59.6° | 60.0° |
| H5' | O5' | C5' | H5'2 | 59.6° | 60.0° |
| H5'1 | C5' | C4' | H4' | 66.5° | 174.6° |
| H5'2 | C5' | C4' | H4' | 52.7° | 65.4° |
| H4' | C4' | C3' | H3' | 98.8° | 120.3° |
| H3' | C3' | C2' | H2' | 31.7° | 23.3° |
| H1' | C1' | C2' | H2' | 149.7° | 159.4° |
