QQY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP3 | P | doub | 1.48Å | 1.74Å | |
| S1P | P | sing | 2.12Å | 1.77Å | |
| O5' | C5' | sing | 1.43Å | 1.40Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| O3' | P | sing | 1.63Å | 1.72Å | |
| C2' | O2' | sing | 1.45Å | 1.40Å | |
| C2' | C1' | sing | 1.54Å | 1.51Å | |
| O2' | P | sing | 1.63Å | 1.72Å | |
| C1' | N9 | sing | 1.46Å | 1.46Å | |
| N9 | C8 | sing | 1.36Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.41Å | |
| C6 | N1 | sing | 1.33Å | 1.37Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.38Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.37Å | Aromatic |
| S1P | H1P | sing | 1.34Å | 1.30Å | |
| 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 | 111.8° | 110.8° |
| OP3 | P | O3' | 112.5° | 110.9° |
| OP3 | P | O2' | 112.5° | 110.9° |
| S1P | P | O3' | 109.1° | 110.9° |
| S1P | P | O2' | 108.3° | 110.9° |
| P | S1P | H1P | 102.0° | 103.0° |
| O5' | C5' | C4' | 111.3° | 109.5° |
| C5' | O5' | H5' | 109.5° | 113.9° |
| O5' | C5' | H5'1 | 109.0° | 109.5° |
| O5' | C5' | H5'2 | 109.0° | 109.5° |
| C5' | C4' | O4' | 109.8° | 110.6° |
| C5' | C4' | C3' | 111.4° | 110.7° |
| C4' | C5' | H5'1 | 109.0° | 109.4° |
| C4' | C5' | H5'2 | 109.0° | 109.5° |
| C5' | C4' | H4' | 108.2° | 110.6° |
| O4' | C4' | C3' | 109.3° | 103.4° |
| C4' | O4' | C1' | 106.6° | 107.0° |
| O4' | C4' | H4' | 109.7° | 110.6° |
| C4' | C3' | O3' | 109.7° | 109.8° |
| C4' | C3' | C2' | 99.8° | 102.4° |
| C3' | C4' | H4' | 108.3° | 110.7° |
| C4' | C3' | H3' | 111.5° | 111.2° |
| O4' | C1' | C2' | 108.2° | 107.3° |
| O4' | C1' | N9 | 111.7° | 109.9° |
| O4' | C1' | H1' | 109.3° | 109.9° |
| O3' | C3' | C2' | 110.1° | 110.3° |
| C3' | O3' | P | 101.9° | 105.1° |
| O3' | C3' | H3' | 113.3° | 111.1° |
| C3' | C2' | O2' | 111.8° | 107.3° |
| C3' | C2' | C1' | 101.1° | 104.0° |
| C2' | C3' | H3' | 111.6° | 111.7° |
| C3' | C2' | H2' | 110.0° | 112.4° |
| O3' | P | O2' | 102.0° | 102.2° |
| O2' | C2' | C1' | 111.9° | 107.8° |
| C2' | O2' | P | 101.6° | 101.8° |
| O2' | C2' | H2' | 111.6° | 112.2° |
| C2' | C1' | N9 | 110.9° | 109.9° |
| C2' | C1' | H1' | 107.9° | 109.8° |
| C1' | C2' | H2' | 110.0° | 112.7° |
| C1' | N9 | C8 | 128.0° | 126.3° |
| C1' | N9 | C4 | 126.7° | 126.2° |
| N9 | C1' | H1' | 108.7° | 110.0° |
| C8 | N9 | C4 | 105.2° | 107.5° |
| N9 | C8 | N7 | 111.3° | 110.0° |
| N9 | C8 | H8 | 124.4° | 125.0° |
| N9 | C4 | C5 | 109.3° | 106.0° |
| N9 | C4 | N3 | 128.0° | 135.0° |
| C8 | N7 | C5 | 104.2° | 109.5° |
| N7 | C8 | H8 | 124.3° | 125.0° |
| N7 | C5 | C6 | 130.1° | 134.7° |
| N7 | C5 | C4 | 109.9° | 107.1° |
| C6 | C5 | C4 | 120.0° | 118.2° |
| C5 | C6 | N6 | 121.4° | 120.8° |
| C5 | C6 | N1 | 117.9° | 118.5° |
| C5 | C4 | N3 | 122.8° | 119.0° |
| C4 | N3 | C2 | 117.9° | 120.7° |
| N6 | C6 | N1 | 120.7° | 120.7° |
| C6 | N6 | H61N | 109.5° | 120.0° |
| C6 | N6 | H62N | 109.4° | 120.0° |
| C6 | N1 | C2 | 121.0° | 121.2° |
| N1 | C2 | N3 | 120.4° | 122.4° |
| N1 | C2 | H2 | 119.8° | 118.8° |
| N3 | C2 | H2 | 119.8° | 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' | 125.2° | 123.6° |
| OP3 | P | S1P | O2' | 124.5° | 123.5° |
| OP3 | P | O3' | C3' | 107.5° | 97.4° |
| OP3 | P | O3' | O2' | 120.8° | 118.2° |
| OP3 | P | O2' | C2' | 129.0° | 83.8° |
| OP3 | P | S1P | H1P | 0.0° | 60.0° |
| S1P | P | O3' | C3' | 127.8° | 139.1° |
| S1P | P | O3' | O2' | 114.4° | 118.3° |
| S1P | P | O2' | C2' | 106.9° | 152.7° |
| O5' | C5' | C4' | H5'1 | 120.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 120.3° | 120.0° |
| O5' | C5' | C4' | O4' | 41.2° | 66.4° |
| O5' | C5' | C4' | C3' | 80.1° | 179.5° |
| O5' | C5' | H5'1 | H5'2 | 119.2° | 120.1° |
| O5' | C5' | C4' | H4' | 160.9° | 56.4° |
| C5' | C4' | O4' | C3' | 122.6° | 118.5° |
| C5' | C4' | O4' | H4' | 118.8° | 122.9° |
| C5' | C4' | C3' | H4' | 118.9° | 123.0° |
| C5' | C4' | O4' | C1' | 113.4° | 158.4° |
| C5' | C4' | C3' | O3' | 152.6° | 87.4° |
| C5' | C4' | C3' | C2' | 91.8° | 155.4° |
| C4' | C5' | O5' | H5' | 180.0° | 180.0° |
| C4' | C5' | H5'1 | H5'2 | 119.2° | 120.0° |
| C5' | C4' | C3' | H3' | 26.2° | 36.0° |
| O4' | C4' | C3' | H4' | 119.5° | 118.5° |
| O4' | C4' | C3' | O3' | 85.8° | 154.1° |
| O4' | C4' | C3' | C2' | 29.8° | 36.9° |
| C4' | O4' | C1' | C2' | 16.0° | 26.4° |
| C4' | O4' | C1' | N9 | 138.4° | 145.9° |
| O4' | C4' | C5' | H5'1 | 161.4° | 53.6° |
| O4' | C4' | C5' | H5'2 | 79.1° | 173.5° |
| O4' | C4' | C3' | H3' | 147.7° | 82.5° |
| C4' | O4' | C1' | H1' | 101.3° | 92.9° |
| C3' | C4' | O4' | C1' | 9.2° | 39.9° |
| C4' | C3' | O3' | C2' | 108.9° | 112.1° |
| C4' | C3' | O3' | H3' | 125.4° | 123.5° |
| C4' | C3' | C2' | H3' | 117.9° | 119.1° |
| C4' | C3' | O3' | P | 138.8° | 112.4° |
| C4' | C3' | C2' | O2' | 155.8° | 93.2° |
| C4' | C3' | C2' | C1' | 36.7° | 20.8° |
| C3' | C4' | C5' | H5'1 | 40.1° | 60.5° |
| C3' | C4' | C5' | H5'2 | 159.6° | 59.5° |
| C4' | C3' | C2' | H2' | 79.6° | 143.0° |
| O4' | C1' | C2' | C3' | 34.4° | 2.1° |
| O4' | C1' | C2' | O2' | 153.5° | 115.7° |
| O4' | C1' | C2' | N9 | 122.9° | 119.4° |
| O4' | C1' | C2' | H1' | 118.2° | 119.4° |
| O4' | C1' | N9 | H1' | 120.7° | 121.1° |
| O4' | C1' | N9 | C8 | 69.3° | 23.5° |
| O4' | C1' | N9 | C4 | 110.9° | 156.7° |
| C1' | O4' | C4' | H4' | 127.8° | 78.7° |
| O4' | C1' | C2' | H2' | 81.8° | 119.9° |
| O3' | C3' | C2' | H3' | 126.8° | 124.1° |
| O3' | C3' | C2' | O2' | 40.5° | 23.6° |
| O3' | C3' | C2' | C1' | 78.7° | 137.6° |
| C3' | O3' | P | O2' | 13.4° | 20.8° |
| O3' | C3' | C4' | H4' | 33.7° | 35.6° |
| O3' | C3' | C2' | H2' | 165.0° | 100.2° |
| C2' | C3' | O3' | P | 29.9° | 0.3° |
| C3' | C2' | O2' | C1' | 112.6° | 111.4° |
| C3' | C2' | O2' | H2' | 123.7° | 123.9° |
| C3' | C2' | C1' | H2' | 116.3° | 121.9° |
| C3' | C2' | O2' | P | 26.8° | 35.3° |
| C3' | C2' | C1' | N9 | 157.3° | 121.5° |
| C2' | C3' | C4' | H4' | 149.3° | 81.6° |
| C3' | C2' | C1' | H1' | 83.8° | 117.4° |
| O3' | P | O2' | C2' | 8.2° | 34.4° |
| O3' | P | S1P | H1P | 125.1° | 63.6° |
| P | O3' | C3' | H3' | 95.9° | 124.1° |
| O2' | C2' | C1' | H2' | 124.7° | 124.4° |
| O2' | C2' | C1' | N9 | 83.6° | 124.8° |
| O2' | C2' | C3' | H3' | 86.3° | 147.7° |
| O2' | C2' | C1' | H1' | 35.3° | 3.7° |
| C1' | C2' | O2' | P | 85.8° | 146.7° |
| C2' | C1' | N9 | H1' | 118.5° | 121.0° |
| C2' | C1' | N9 | C8 | 51.6° | 94.3° |
| C2' | C1' | N9 | C4 | 128.2° | 85.4° |
| C1' | C2' | C3' | H3' | 154.5° | 98.3° |
| O2' | P | S1P | H1P | 124.5° | 176.4° |
| P | O2' | C2' | H2' | 150.5° | 88.7° |
| C1' | N9 | C8 | C4 | 179.8° | 179.8° |
| C1' | N9 | C8 | N7 | 179.9° | 180.0° |
| C1' | N9 | C4 | C5 | 179.9° | 179.9° |
| C1' | N9 | C4 | N3 | 0.2° | 0.6° |
| N9 | C1' | C2' | H2' | 41.1° | 0.4° |
| C1' | N9 | C8 | H8 | 0.1° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| C8 | N9 | C4 | C5 | 0.0° | 0.3° |
| C8 | N9 | C4 | N3 | 180.0° | 179.6° |
| C8 | N9 | C1' | H1' | 170.1° | 144.6° |
| C4 | N9 | C8 | N7 | 0.1° | 0.2° |
| N9 | C4 | C5 | N7 | 0.0° | 0.3° |
| N9 | C4 | C5 | C6 | 179.9° | 179.9° |
| N9 | C4 | C5 | N3 | 179.9° | 179.4° |
| N9 | C4 | N3 | C2 | 180.0° | 179.7° |
| C4 | N9 | C1' | H1' | 9.7° | 35.6° |
| C4 | N9 | C8 | H8 | 179.9° | 179.8° |
| C8 | N7 | C5 | C6 | 180.0° | 180.0° |
| C8 | N7 | C5 | C4 | 0.0° | 0.2° |
| N7 | C5 | C6 | C4 | 180.0° | 179.8° |
| N7 | C5 | C4 | N3 | 179.9° | 179.7° |
| N7 | C5 | C6 | N6 | 0.1° | 0.0° |
| N7 | C5 | C6 | N1 | 180.0° | 180.0° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.4° |
| C5 | C6 | N6 | N1 | 180.0° | 179.9° |
| C5 | C6 | N1 | C2 | 0.0° | 0.1° |
| C5 | C6 | N6 | H61N | 179.9° | 0.0° |
| C5 | C6 | N6 | H62N | 60.0° | 180.0° |
| C4 | C5 | C6 | N6 | 180.0° | 179.7° |
| C4 | C5 | C6 | N1 | 0.0° | 0.2° |
| C5 | C4 | N3 | C2 | 0.0° | 0.5° |
| C4 | N3 | C2 | N1 | 0.0° | 0.2° |
| C4 | N3 | C2 | H2 | 179.9° | 179.7° |
| N6 | C6 | N1 | C2 | 180.0° | 180.0° |
| C6 | N6 | H61N | H62N | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| N1 | C6 | N6 | H61N | 0.0° | 179.9° |
| N1 | C6 | N6 | H62N | 120.0° | 0.0° |
| C6 | N1 | C2 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| H5' | O5' | C5' | H5'1 | 59.7° | 60.1° |
| H5' | O5' | C5' | H5'2 | 59.7° | 60.0° |
| H5'1 | C5' | C4' | H4' | 78.9° | 176.4° |
| H5'2 | C5' | C4' | H4' | 40.7° | 63.6° |
| H4' | C4' | C3' | H3' | 92.8° | 159.0° |
| H3' | C3' | C2' | H2' | 38.3° | 23.8° |
| H1' | C1' | C2' | H2' | 160.0° | 120.7° |
