08Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8' | C7' | sing | 1.53Å | 1.50Å | |
| C8' | S | sing | 1.81Å | 1.84Å | |
| C7' | N4 | sing | 1.47Å | 1.47Å | |
| N4 | P | sing | 1.68Å | 1.63Å | |
| O5' | C5' | sing | 1.43Å | 1.48Å | |
| O5' | P | sing | 1.61Å | 1.61Å | |
| C5' | C4' | sing | 1.53Å | 1.60Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| P | OP1 | doub | 1.48Å | 1.46Å | |
| C3' | C4' | sing | 1.54Å | 1.45Å | |
| C3' | C2' | sing | 1.55Å | 1.56Å | |
| C4' | O4' | sing | 1.43Å | 1.57Å | |
| O4' | C1' | sing | 1.44Å | 1.52Å | |
| C2' | C1' | sing | 1.55Å | 1.37Å | |
| C1' | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C6 | sing | 1.37Å | 1.40Å | |
| N1 | C2 | sing | 1.34Å | 1.40Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| O2 | C2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.42Å | 1.40Å | |
| N3 | C4 | sing | 1.35Å | 1.40Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| P | OP3 | sing | 1.61Å | 1.59Å | |
| C8' | H1 | sing | 1.09Å | 1.10Å | |
| C8' | H2 | sing | 1.09Å | 1.10Å | |
| C7' | H3 | sing | 1.09Å | 1.10Å | |
| C7' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 1.01Å | 1.00Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| S | H19 | sing | 1.35Å | 1.30Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7' | C8' | S | 107.6° | 109.5° |
| C8' | C7' | N4 | 109.7° | 109.5° |
| C7' | C8' | H1 | 110.1° | 109.5° |
| C7' | C8' | H2 | 110.1° | 109.5° |
| C8' | C7' | H3 | 109.4° | 109.5° |
| C8' | C7' | H4 | 109.4° | 109.5° |
| S | C8' | H1 | 110.1° | 109.5° |
| S | C8' | H2 | 110.1° | 109.5° |
| C8' | S | H19 | 102.0° | 103.0° |
| C7' | N4 | P | 112.8° | 111.0° |
| N4 | C7' | H3 | 109.4° | 109.4° |
| N4 | C7' | H4 | 109.4° | 109.5° |
| C7' | N4 | H14 | 108.4° | 111.0° |
| N4 | P | O5' | 111.0° | 109.5° |
| N4 | P | OP1 | 100.6° | 109.5° |
| N4 | P | OP3 | 134.2° | 109.5° |
| P | N4 | H14 | 108.4° | 111.0° |
| C5' | O5' | P | 123.7° | 123.0° |
| O5' | C5' | C4' | 121.9° | 109.5° |
| O5' | C5' | H5 | 105.5° | 109.5° |
| O5' | C5' | H6 | 105.5° | 109.5° |
| O5' | P | OP1 | 113.3° | 109.5° |
| O5' | P | OP3 | 92.7° | 109.4° |
| C5' | C4' | C3' | 136.2° | 109.8° |
| C5' | C4' | O4' | 115.5° | 109.8° |
| C4' | C5' | H5 | 105.5° | 109.4° |
| C4' | C5' | H6 | 105.5° | 109.4° |
| C5' | C4' | H7 | 78.1° | 109.8° |
| O3' | C3' | C4' | 111.4° | 110.9° |
| O3' | C3' | C2' | 111.2° | 110.8° |
| O3' | C3' | H8 | 103.9° | 110.9° |
| C3' | O3' | H9 | 109.5° | 114.0° |
| OP1 | P | OP3 | 105.1° | 109.5° |
| C4' | C3' | C2' | 97.4° | 102.3° |
| C3' | C4' | O4' | 94.5° | 107.6° |
| C3' | C4' | H7 | 105.8° | 109.9° |
| C4' | C3' | H8 | 116.5° | 110.8° |
| C3' | C2' | C1' | 107.6° | 101.0° |
| C2' | C3' | H8 | 116.6° | 110.8° |
| C3' | C2' | H10 | 110.1° | 111.2° |
| C3' | C2' | H11 | 110.1° | 111.1° |
| C4' | O4' | C1' | 112.5° | 109.9° |
| O4' | C4' | H7 | 132.0° | 109.8° |
| O4' | C1' | C2' | 95.9° | 105.1° |
| O4' | C1' | N1 | 98.2° | 110.3° |
| O4' | C1' | H12 | 166.8° | 110.3° |
| C2' | C1' | N1 | 162.6° | 110.3° |
| C1' | C2' | H10 | 110.1° | 111.1° |
| C1' | C2' | H11 | 110.1° | 111.1° |
| C2' | C1' | H12 | 85.8° | 110.3° |
| C1' | N1 | C6 | 125.8° | 119.7° |
| C1' | N1 | C2 | 112.9° | 119.7° |
| N1 | C1' | H12 | 82.8° | 110.4° |
| C6 | N1 | C2 | 120.8° | 120.6° |
| N1 | C6 | C5 | 117.8° | 119.7° |
| N1 | C6 | H18 | 121.1° | 120.1° |
| N1 | C2 | O2 | 119.4° | 119.6° |
| N1 | C2 | N3 | 120.6° | 120.9° |
| C6 | C5 | C7 | 119.1° | 120.5° |
| C6 | C5 | C4 | 121.3° | 119.1° |
| C5 | C6 | H18 | 121.1° | 120.1° |
| O2 | C2 | N3 | 120.0° | 119.5° |
| C2 | N3 | C4 | 118.9° | 120.3° |
| C2 | N3 | H13 | 120.5° | 119.9° |
| C7 | C5 | C4 | 119.6° | 120.5° |
| C5 | C7 | H15 | 109.5° | 109.4° |
| C5 | C7 | H16 | 109.5° | 109.5° |
| C5 | C7 | H17 | 109.5° | 109.4° |
| C5 | C4 | N3 | 120.4° | 119.4° |
| C5 | C4 | O4 | 119.3° | 120.3° |
| N3 | C4 | O4 | 120.2° | 120.3° |
| C4 | N3 | H13 | 120.6° | 119.8° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| H1 | C8' | H2 | 108.8° | 109.4° |
| H3 | C7' | H4 | 109.6° | 109.5° |
| H5 | C5' | H6 | 113.1° | 109.5° |
| H10 | C2' | H11 | 108.8° | 111.0° |
| H15 | C7 | H16 | 109.4° | 109.5° |
| H15 | C7 | H17 | 109.4° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7' | C8' | S | H1 | 120.0° | 120.0° |
| C7' | C8' | S | H2 | 120.0° | 120.0° |
| C8' | C7' | N4 | H3 | 120.0° | 120.0° |
| C8' | C7' | N4 | H4 | 120.0° | 120.0° |
| C8' | C7' | N4 | P | 175.7° | 135.0° |
| C7' | C8' | H1 | H2 | 120.8° | 120.0° |
| C8' | C7' | H3 | H4 | 119.9° | 120.0° |
| C8' | C7' | N4 | H14 | 55.6° | 101.0° |
| C7' | C8' | S | H19 | 180.0° | 180.0° |
| S | C8' | C7' | N4 | 61.3° | 180.0° |
| S | C8' | H1 | H2 | 120.8° | 120.0° |
| S | C8' | C7' | H3 | 178.7° | 60.0° |
| S | C8' | C7' | H4 | 58.7° | 60.0° |
| C7' | N4 | P | H14 | 120.0° | 123.9° |
| C7' | N4 | P | O5' | 112.2° | 60.0° |
| C7' | N4 | P | OP1 | 127.6° | 180.0° |
| C7' | N4 | P | OP3 | 4.1° | 60.0° |
| N4 | C7' | C8' | H1 | 178.7° | 60.0° |
| N4 | C7' | C8' | H2 | 58.7° | 60.0° |
| N4 | C7' | H3 | H4 | 119.9° | 120.0° |
| N4 | P | O5' | C5' | 174.2° | 70.0° |
| N4 | P | O5' | OP1 | 112.3° | 120.0° |
| N4 | P | O5' | OP3 | 139.9° | 120.0° |
| N4 | P | OP1 | OP3 | 141.7° | 120.0° |
| P | N4 | C7' | H3 | 64.4° | 15.0° |
| P | N4 | C7' | H4 | 55.7° | 105.0° |
| N4 | P | OP3 | HOP3 | 121.9° | 60.0° |
| O5' | C5' | C4' | H5 | 120.0° | 120.0° |
| O5' | C5' | C4' | H6 | 120.0° | 120.0° |
| C5' | O5' | P | OP1 | 61.9° | 50.0° |
| O5' | C5' | C4' | C3' | 63.3° | 175.4° |
| O5' | C5' | C4' | O4' | 65.1° | 66.5° |
| C5' | O5' | P | OP3 | 45.9° | 170.0° |
| O5' | C5' | H5 | H6 | 114.9° | 120.0° |
| O5' | C5' | C4' | H7 | 163.8° | 54.4° |
| P | O5' | C5' | C4' | 74.1° | 180.0° |
| O5' | P | OP1 | OP3 | 99.8° | 120.0° |
| P | O5' | C5' | H5 | 165.9° | 60.0° |
| P | O5' | C5' | H6 | 45.9° | 60.0° |
| O5' | P | N4 | H14 | 127.8° | 176.1° |
| O5' | P | OP3 | HOP3 | 115.0° | 60.0° |
| C5' | C4' | C3' | O3' | 63.1° | 101.0° |
| C5' | C4' | C3' | O4' | 134.8° | 119.5° |
| C5' | C4' | C3' | H7 | 89.2° | 120.9° |
| C5' | C4' | C3' | C2' | 179.4° | 140.8° |
| C5' | C4' | O4' | H7 | 96.9° | 120.9° |
| C5' | C4' | O4' | C1' | 175.7° | 117.8° |
| C4' | C5' | H5 | H6 | 114.9° | 120.0° |
| C5' | C4' | C3' | H8 | 55.8° | 22.7° |
| O3' | C3' | C4' | C2' | 116.3° | 118.2° |
| O3' | C3' | C4' | H8 | 118.9° | 123.7° |
| O3' | C3' | C2' | H8 | 118.9° | 123.6° |
| O3' | C3' | C4' | O4' | 162.1° | 139.5° |
| O3' | C3' | C2' | C1' | 176.5° | 152.3° |
| O3' | C3' | C4' | H7 | 26.1° | 20.0° |
| O3' | C3' | C2' | H10 | 63.5° | 89.7° |
| O3' | C3' | C2' | H11 | 56.5° | 34.5° |
| OP1 | P | N4 | H14 | 7.6° | 56.1° |
| OP1 | P | OP3 | HOP3 | 0.0° | 180.0° |
| C4' | C3' | C2' | H8 | 124.6° | 118.2° |
| C3' | C4' | O4' | H7 | 116.0° | 119.6° |
| C3' | C4' | O4' | C1' | 28.6° | 1.7° |
| C4' | C3' | C2' | C1' | 60.0° | 34.1° |
| C3' | C4' | C5' | H5 | 56.7° | 64.6° |
| C3' | C4' | C5' | H6 | 176.7° | 55.4° |
| C4' | C3' | O3' | H9 | 180.0° | 179.9° |
| C4' | C3' | C2' | H10 | 180.0° | 152.0° |
| C4' | C3' | C2' | H11 | 60.0° | 83.8° |
| C2' | C3' | C4' | O4' | 45.8° | 21.3° |
| C3' | C2' | C1' | O4' | 37.4° | 36.4° |
| C3' | C2' | C1' | H10 | 120.0° | 118.0° |
| C3' | C2' | C1' | H11 | 120.0° | 117.9° |
| C3' | C2' | C1' | N1 | 178.5° | 155.3° |
| C2' | C3' | C4' | H7 | 90.3° | 98.2° |
| C2' | C3' | O3' | H9 | 72.5° | 67.2° |
| C3' | C2' | H10 | H11 | 120.8° | 124.2° |
| C3' | C2' | C1' | H12 | 129.5° | 82.5° |
| C4' | O4' | C1' | C2' | 5.9° | 24.4° |
| C4' | O4' | C1' | N1 | 175.7° | 143.3° |
| O4' | C4' | C5' | H5 | 174.9° | 53.6° |
| O4' | C4' | C5' | H6 | 54.9° | 173.6° |
| O4' | C4' | C3' | H8 | 79.0° | 96.8° |
| C4' | O4' | C1' | H12 | 90.7° | 94.5° |
| O4' | C1' | C2' | N1 | 144.1° | 118.9° |
| O4' | C1' | C2' | H12 | 166.9° | 118.9° |
| O4' | C1' | N1 | H12 | 166.8° | 122.1° |
| O4' | C1' | N1 | C6 | 47.2° | 1.5° |
| O4' | C1' | N1 | C2 | 140.5° | 178.3° |
| C1' | O4' | C4' | H7 | 87.4° | 121.3° |
| O4' | C1' | C2' | H10 | 157.4° | 154.4° |
| O4' | C1' | C2' | H11 | 82.6° | 81.5° |
| C2' | C1' | N1 | H12 | 49.4° | 122.2° |
| C2' | C1' | N1 | C6 | 168.9° | 117.2° |
| C2' | C1' | N1 | C2 | 3.4° | 62.6° |
| C1' | C2' | C3' | H8 | 64.6° | 84.1° |
| C1' | C2' | H10 | H11 | 120.7° | 124.2° |
| C1' | N1 | C6 | C2 | 171.7° | 179.8° |
| C1' | N1 | C6 | C5 | 175.9° | 179.7° |
| C1' | N1 | C2 | O2 | 4.9° | 0.0° |
| C1' | N1 | C2 | N3 | 176.8° | 180.0° |
| N1 | C1' | C2' | H10 | 58.6° | 86.7° |
| N1 | C1' | C2' | H11 | 61.4° | 37.4° |
| C1' | N1 | C6 | H18 | 4.1° | 0.0° |
| N1 | C6 | C5 | H18 | 180.0° | 179.8° |
| C6 | N1 | C2 | O2 | 177.6° | 179.8° |
| C6 | N1 | C2 | N3 | 4.1° | 0.2° |
| N1 | C6 | C5 | C7 | 177.8° | 179.8° |
| N1 | C6 | C5 | C4 | 2.3° | 0.5° |
| C6 | N1 | C1' | H12 | 119.5° | 120.6° |
| C2 | N1 | C6 | C5 | 4.2° | 0.5° |
| N1 | C2 | O2 | N3 | 178.3° | 180.0° |
| N1 | C2 | N3 | C4 | 1.8° | 0.0° |
| C2 | N1 | C1' | H12 | 52.8° | 59.6° |
| N1 | C2 | N3 | H13 | 178.2° | 179.9° |
| C2 | N1 | C6 | H18 | 175.8° | 179.8° |
| C6 | C5 | C7 | C4 | 180.0° | 179.7° |
| C6 | C5 | C4 | N3 | 0.1° | 0.3° |
| C6 | C5 | C4 | O4 | 179.9° | 179.7° |
| C6 | C5 | C7 | H15 | 180.0° | 179.7° |
| C6 | C5 | C7 | H16 | 60.0° | 59.7° |
| C6 | C5 | C7 | H17 | 60.0° | 60.3° |
| O2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2 | C2 | N3 | H13 | 0.1° | 0.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | H13 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.6° | 180.0° |
| C7 | C5 | C4 | N3 | 179.9° | 180.0° |
| C7 | C5 | C4 | O4 | 0.1° | 0.0° |
| C5 | C7 | H15 | H16 | 120.0° | 120.0° |
| C5 | C7 | H15 | H17 | 120.0° | 119.9° |
| C5 | C7 | H16 | H17 | 120.0° | 119.9° |
| C7 | C5 | C6 | H18 | 2.2° | 0.0° |
| C5 | C4 | N3 | O4 | 179.8° | 180.0° |
| C5 | C4 | N3 | H13 | 179.9° | 180.0° |
| C4 | C5 | C7 | H15 | 0.0° | 0.0° |
| C4 | C5 | C7 | H16 | 120.0° | 120.0° |
| C4 | C5 | C7 | H17 | 120.0° | 120.0° |
| C4 | C5 | C6 | H18 | 177.7° | 179.7° |
| O4 | C4 | N3 | H13 | 0.4° | 0.1° |
| OP3 | P | N4 | H14 | 115.9° | 63.9° |
| H1 | C8' | C7' | H3 | 58.7° | 60.0° |
| H1 | C8' | C7' | H4 | 61.3° | 180.0° |
| H1 | C8' | S | H19 | 60.0° | 60.0° |
| H2 | C8' | C7' | H3 | 61.3° | 179.9° |
| H2 | C8' | C7' | H4 | 178.7° | 60.1° |
| H2 | C8' | S | H19 | 60.0° | 60.0° |
| H3 | C7' | N4 | H14 | 175.6° | 139.0° |
| H4 | C7' | N4 | H14 | 64.3° | 19.0° |
| H5 | C5' | C4' | H7 | 43.8° | 174.4° |
| H6 | C5' | C4' | H7 | 76.2° | 65.6° |
| H7 | C4' | C3' | H8 | 145.0° | 143.6° |
| H8 | C3' | O3' | H9 | 53.8° | 56.3° |
| H8 | C3' | C2' | H10 | 55.4° | 33.9° |
| H8 | C3' | C2' | H11 | 175.4° | 158.1° |
| H10 | C2' | C1' | H12 | 9.5° | 35.5° |
| H11 | C2' | C1' | H12 | 110.5° | 159.7° |
| H15 | C7 | H16 | H17 | 120.0° | 120.1° |
