5S7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CS | S5' | sing | 1.81Å | 1.76Å | |
| C5' | S5' | sing | 1.81Å | 1.78Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| O3' | C3' | sing | 1.43Å | 1.45Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | C2' | sing | 1.55Å | 1.49Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C2' | O2' | sing | 1.43Å | 1.40Å | |
| C2' | C1' | sing | 1.55Å | 1.50Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C1' | N9 | sing | 1.46Å | 1.45Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.32Å | Aromatic |
| N2 | C2 | sing | 1.39Å | 1.33Å | |
| C4 | C5 | sing | 1.40Å | 1.45Å | Aromatic |
| C2 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.33Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.46Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O3' | H2 | sing | 0.97Å | 0.95Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| CS | H7 | sing | 1.09Å | 1.10Å | |
| CS | H8 | sing | 1.09Å | 1.10Å | |
| CS | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CS | S5' | C5' | 104.3° | 103.0° |
| S5' | CS | H7 | 109.5° | 109.5° |
| S5' | CS | H8 | 109.5° | 109.5° |
| S5' | CS | H9 | 109.5° | 109.4° |
| S5' | C5' | C4' | 111.2° | 109.5° |
| S5' | C5' | H5 | 109.1° | 109.5° |
| S5' | C5' | H6 | 109.0° | 109.5° |
| C5' | C4' | C3' | 116.6° | 109.9° |
| C5' | C4' | O4' | 109.7° | 109.9° |
| C5' | C4' | H4 | 108.6° | 110.0° |
| C4' | C5' | H5 | 109.0° | 109.4° |
| C4' | C5' | H6 | 109.1° | 109.5° |
| O3' | C3' | C4' | 112.8° | 110.5° |
| O3' | C3' | C2' | 103.7° | 110.5° |
| C3' | O3' | H2 | 109.5° | 114.0° |
| O3' | C3' | H3 | 112.6° | 110.4° |
| C4' | C3' | C2' | 103.9° | 104.2° |
| C3' | C4' | O4' | 103.0° | 107.3° |
| C4' | C3' | H3 | 111.4° | 110.5° |
| C3' | C4' | H4 | 108.7° | 109.9° |
| C3' | C2' | O2' | 110.8° | 110.9° |
| C3' | C2' | C1' | 101.5° | 102.1° |
| C2' | C3' | H3 | 111.9° | 110.6° |
| C3' | C2' | H10 | 110.6° | 110.9° |
| C4' | O4' | C1' | 110.3° | 107.0° |
| O4' | C4' | H4 | 110.1° | 109.8° |
| O2' | C2' | C1' | 110.8° | 110.9° |
| O2' | C2' | H10 | 112.1° | 110.8° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| C2' | C1' | O4' | 98.3° | 103.5° |
| C2' | C1' | N9 | 118.9° | 110.6° |
| C1' | C2' | H10 | 110.5° | 111.0° |
| C2' | C1' | H12 | 111.5° | 110.6° |
| O4' | C1' | N9 | 102.0° | 110.6° |
| O4' | C1' | H12 | 112.3° | 110.7° |
| C1' | N9 | C4 | 128.1° | 126.3° |
| C1' | N9 | C8 | 121.0° | 126.3° |
| N9 | C1' | H12 | 112.4° | 110.6° |
| C4 | N3 | C2 | 119.2° | 120.5° |
| N3 | C4 | N9 | 135.1° | 134.8° |
| N3 | C4 | C5 | 120.2° | 119.2° |
| N3 | C2 | N2 | 118.1° | 118.8° |
| N3 | C2 | N1 | 124.0° | 122.3° |
| C4 | N9 | C8 | 110.3° | 107.5° |
| N9 | C4 | C5 | 104.7° | 106.0° |
| N9 | C8 | N7 | 110.9° | 110.0° |
| N9 | C8 | H1 | 124.6° | 125.0° |
| N2 | C2 | N1 | 117.9° | 118.9° |
| C2 | N2 | H15 | 109.5° | 120.0° |
| C2 | N2 | H16 | 109.5° | 120.0° |
| C4 | C5 | N7 | 107.4° | 107.2° |
| C4 | C5 | C6 | 117.5° | 118.3° |
| C2 | N1 | C6 | 121.3° | 121.1° |
| C8 | N7 | C5 | 106.7° | 109.4° |
| N7 | C8 | H1 | 124.6° | 125.0° |
| N7 | C5 | C6 | 135.1° | 134.6° |
| C5 | C6 | N1 | 117.7° | 118.6° |
| C5 | C6 | N6 | 120.1° | 120.7° |
| N1 | C6 | N6 | 122.2° | 120.7° |
| C6 | N6 | H13 | 109.5° | 120.0° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| H5 | C5' | H6 | 109.5° | 109.4° |
| H7 | CS | H8 | 109.4° | 109.5° |
| H7 | CS | H9 | 109.5° | 109.5° |
| H8 | CS | H9 | 109.4° | 109.4° |
| H13 | N6 | H14 | 109.4° | 120.0° |
| H15 | N2 | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CS | S5' | C5' | C4' | 68.7° | 180.0° |
| CS | S5' | C5' | H5 | 171.0° | 60.0° |
| CS | S5' | C5' | H6 | 51.5° | 60.0° |
| S5' | CS | H7 | H8 | 120.0° | 120.0° |
| S5' | CS | H7 | H9 | 120.0° | 120.0° |
| S5' | CS | H8 | H9 | 120.0° | 119.9° |
| S5' | C5' | C4' | H5 | 120.3° | 120.0° |
| S5' | C5' | C4' | H6 | 120.2° | 120.0° |
| S5' | C5' | C4' | C3' | 177.2° | 175.0° |
| S5' | C5' | C4' | O4' | 66.3° | 67.2° |
| S5' | C5' | C4' | H4 | 54.0° | 53.9° |
| S5' | C5' | H5 | H6 | 119.2° | 120.0° |
| C5' | S5' | CS | H7 | 180.0° | 60.0° |
| C5' | S5' | CS | H8 | 60.0° | 180.0° |
| C5' | S5' | CS | H9 | 60.0° | 60.0° |
| C5' | C4' | C3' | O3' | 141.9° | 119.9° |
| C5' | C4' | C3' | O4' | 120.2° | 119.5° |
| C5' | C4' | C3' | H4 | 123.1° | 121.2° |
| C5' | C4' | C3' | C2' | 106.5° | 121.4° |
| C5' | C4' | O4' | H4 | 119.4° | 121.2° |
| C5' | C4' | O4' | C1' | 142.0° | 145.9° |
| C5' | C4' | C3' | H3 | 14.1° | 2.6° |
| C4' | C5' | H5 | H6 | 119.2° | 120.0° |
| O3' | C3' | C4' | C2' | 111.6° | 118.7° |
| O3' | C3' | C4' | H3 | 127.8° | 122.5° |
| O3' | C3' | C2' | H3 | 121.6° | 122.6° |
| O3' | C3' | C4' | O4' | 97.9° | 120.7° |
| O3' | C3' | C2' | O2' | 37.7° | 20.4° |
| O3' | C3' | C2' | C1' | 80.0° | 97.8° |
| O3' | C3' | C4' | H4 | 18.9° | 1.3° |
| O3' | C3' | C2' | H10 | 162.7° | 144.0° |
| C4' | C3' | C2' | H3 | 120.3° | 118.8° |
| C3' | C4' | O4' | H4 | 115.8° | 119.4° |
| C4' | C3' | C2' | O2' | 155.8° | 139.1° |
| C4' | C3' | C2' | C1' | 38.0° | 20.9° |
| C3' | C4' | O4' | C1' | 17.2° | 26.4° |
| C4' | C3' | O3' | H2 | 180.0° | 180.0° |
| C3' | C4' | C5' | H5 | 62.5° | 55.0° |
| C3' | C4' | C5' | H6 | 56.9° | 65.0° |
| C4' | C3' | C2' | H10 | 79.3° | 97.4° |
| C2' | C3' | C4' | O4' | 13.7° | 2.0° |
| C3' | C2' | O2' | C1' | 111.9° | 112.7° |
| C3' | C2' | O2' | H10 | 124.1° | 123.6° |
| C3' | C2' | C1' | H10 | 117.4° | 118.2° |
| C3' | C2' | C1' | O4' | 46.7° | 37.0° |
| C3' | C2' | C1' | N9 | 155.4° | 155.5° |
| C2' | C3' | O3' | H2 | 68.3° | 65.3° |
| C2' | C3' | C4' | H4 | 130.4° | 117.3° |
| C3' | C2' | O2' | H11 | 180.0° | 61.5° |
| C3' | C2' | C1' | H12 | 71.3° | 81.6° |
| C4' | O4' | C1' | C2' | 40.5° | 40.0° |
| C4' | O4' | C1' | N9 | 162.5° | 158.5° |
| O4' | C4' | C3' | H3 | 134.3° | 116.9° |
| O4' | C4' | C5' | H5 | 54.0° | 172.8° |
| O4' | C4' | C5' | H6 | 173.5° | 52.9° |
| C4' | O4' | C1' | H12 | 77.0° | 78.5° |
| O2' | C2' | C1' | H10 | 124.9° | 123.6° |
| O2' | C2' | C1' | O4' | 164.5° | 155.2° |
| O2' | C2' | C1' | N9 | 86.8° | 86.3° |
| O2' | C2' | C3' | H3 | 83.9° | 102.1° |
| O2' | C2' | C1' | H12 | 46.4° | 36.5° |
| C2' | C1' | O4' | N9 | 122.0° | 118.5° |
| C2' | C1' | O4' | H12 | 117.5° | 118.5° |
| C2' | C1' | N9 | H12 | 132.9° | 122.9° |
| C2' | C1' | N9 | C4 | 10.9° | 85.0° |
| C2' | C1' | N9 | C8 | 178.9° | 95.0° |
| C1' | C2' | C3' | H3 | 158.3° | 139.6° |
| C1' | C2' | O2' | H11 | 68.1° | 174.2° |
| O4' | C1' | N9 | H12 | 120.5° | 123.0° |
| O4' | C1' | N9 | C4 | 95.8° | 160.9° |
| O4' | C1' | N9 | C8 | 74.5° | 19.1° |
| C1' | O4' | C4' | H4 | 98.6° | 92.9° |
| O4' | C1' | C2' | H10 | 70.6° | 81.2° |
| C1' | N9 | C4 | N3 | 9.0° | 0.0° |
| C1' | N9 | C4 | C8 | 171.1° | 180.0° |
| C1' | N9 | C4 | C5 | 172.5° | 180.0° |
| C1' | N9 | C8 | N7 | 174.1° | 180.0° |
| C1' | N9 | C8 | H1 | 5.9° | 0.1° |
| N9 | C1' | C2' | H10 | 38.1° | 37.3° |
| N3 | C4 | N9 | C5 | 178.5° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 179.9° |
| C4 | N3 | C2 | N2 | 179.6° | 179.7° |
| C4 | N3 | C2 | N1 | 0.1° | 0.1° |
| N3 | C4 | C5 | N7 | 178.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C2 | N3 | C4 | N9 | 178.4° | 179.9° |
| N3 | C2 | N2 | N1 | 179.7° | 179.6° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| N3 | C2 | N1 | C6 | 0.6° | 0.1° |
| N3 | C2 | N2 | H15 | 0.0° | 179.7° |
| N3 | C2 | N2 | H16 | 120.0° | 0.4° |
| C4 | N9 | C8 | N7 | 2.2° | 0.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.0° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| C4 | N9 | C8 | H1 | 177.8° | 179.9° |
| C4 | N9 | C1' | H12 | 143.7° | 37.9° |
| C8 | N9 | C4 | C5 | 1.4° | 0.0° |
| N9 | C8 | N7 | H1 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 2.0° | 0.0° |
| C8 | N9 | C1' | H12 | 46.0° | 142.1° |
| N2 | C2 | N1 | C6 | 179.1° | 179.7° |
| C2 | N2 | H15 | H16 | 120.0° | 179.9° |
| C4 | C5 | N7 | C8 | 1.1° | 0.0° |
| C4 | C5 | N7 | C6 | 179.2° | 180.0° |
| C4 | C5 | C6 | N1 | 0.8° | 0.0° |
| C4 | C5 | C6 | N6 | 179.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.9° | 0.0° |
| C2 | N1 | C6 | N6 | 179.1° | 180.0° |
| N1 | C2 | N2 | H15 | 179.7° | 0.1° |
| N1 | C2 | N2 | H16 | 60.2° | 180.0° |
| C8 | N7 | C5 | C6 | 179.7° | 180.0° |
| N7 | C5 | C6 | N1 | 178.3° | 180.0° |
| N7 | C5 | C6 | N6 | 0.0° | 0.0° |
| C5 | N7 | C8 | H1 | 178.0° | 179.9° |
| C5 | C6 | N1 | N6 | 178.2° | 179.9° |
| C5 | C6 | N6 | H13 | 178.2° | 0.1° |
| C5 | C6 | N6 | H14 | 58.2° | 179.9° |
| N1 | C6 | N6 | H13 | 0.0° | 180.0° |
| N1 | C6 | N6 | H14 | 120.0° | 0.1° |
| C6 | N6 | H13 | H14 | 120.0° | 179.8° |
| H2 | O3' | C3' | H3 | 52.8° | 57.4° |
| H3 | C3' | C4' | H4 | 109.0° | 123.8° |
| H3 | C3' | C2' | H10 | 41.0° | 21.4° |
| H4 | C4' | C5' | H5 | 174.3° | 66.1° |
| H4 | C4' | C5' | H6 | 66.2° | 173.9° |
| H7 | CS | H8 | H9 | 120.0° | 120.1° |
| H10 | C2' | O2' | H11 | 55.9° | 62.1° |
| H10 | C2' | C1' | H12 | 171.3° | 160.2° |
