C4S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | sing | 1.61Å | 1.61Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O2P | P | doub | 1.48Å | 1.49Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| P | O1P | sing | 1.61Å | 1.49Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C1' | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C6 | sing | 1.36Å | 1.36Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| H6 | C6 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.35Å | 1.33Å | |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.33Å | 1.35Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | |
| C5 | C4 | sing | 1.41Å | 1.41Å | |
| C4 | N4 | sing | 1.38Å | 1.33Å | |
| N4 | H1N4 | sing | 0.97Å | 1.00Å | |
| N4 | H2N4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3' | C2' | sing | 1.52Å | 1.52Å | |
| H22' | C2' | sing | 1.09Å | 1.10Å | |
| C2' | H12' | sing | 1.09Å | 1.10Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| H15' | C5' | sing | 1.09Å | 1.10Å | |
| H25' | C5' | sing | 1.09Å | 1.10Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| H4' | C4' | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | S4' | sing | 1.84Å | 1.84Å | |
| S4' | C1' | sing | 1.84Å | 1.83Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O3' | C3' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 114.1° |
| O3P | P | O2P | 108.2° | 109.5° |
| O3P | P | O5' | 104.4° | 109.5° |
| O3P | P | O1P | 107.4° | 109.5° |
| O2P | P | O5' | 108.2° | 109.5° |
| O2P | P | O1P | 119.6° | 109.5° |
| O5' | P | O1P | 108.1° | 109.5° |
| P | O5' | C5' | 120.8° | 123.0° |
| P | O1P | HO1P | 109.5° | 114.0° |
| O5' | C5' | H15' | 109.3° | 109.4° |
| O5' | C5' | H25' | 109.2° | 109.5° |
| O5' | C5' | C4' | 110.0° | 109.5° |
| C1' | N1 | C6 | 120.7° | 119.9° |
| C1' | N1 | C2 | 118.8° | 119.8° |
| N1 | C1' | C2' | 112.7° | 110.8° |
| N1 | C1' | S4' | 109.4° | 110.8° |
| N1 | C1' | H1' | 105.8° | 110.8° |
| C6 | N1 | C2 | 120.5° | 120.3° |
| N1 | C6 | H6 | 119.5° | 120.4° |
| N1 | C6 | C5 | 121.1° | 119.3° |
| N1 | C2 | O2 | 118.7° | 119.5° |
| N1 | C2 | N3 | 119.2° | 121.1° |
| H6 | C6 | C5 | 119.5° | 120.4° |
| C6 | C5 | C4 | 117.4° | 119.0° |
| C6 | C5 | H5 | 121.3° | 120.5° |
| O2 | C2 | N3 | 122.1° | 119.4° |
| C2 | N3 | C4 | 119.9° | 120.7° |
| N3 | C4 | C5 | 121.9° | 119.6° |
| N3 | C4 | N4 | 118.3° | 120.2° |
| C5 | C4 | N4 | 119.8° | 120.2° |
| C4 | C5 | H5 | 121.3° | 120.5° |
| C4 | N4 | H1N4 | 109.9° | 120.0° |
| C4 | N4 | H2N4 | 125.1° | 120.0° |
| H1N4 | N4 | H2N4 | 125.1° | 120.0° |
| C3' | C2' | H22' | 109.6° | 108.8° |
| C3' | C2' | H12' | 109.7° | 108.8° |
| C3' | C2' | C1' | 109.0° | 112.6° |
| C2' | C3' | C4' | 111.0° | 112.6° |
| C2' | C3' | O3' | 106.1° | 108.9° |
| C2' | C3' | H3' | 114.0° | 108.9° |
| H22' | C2' | H12' | 109.1° | 108.8° |
| H22' | C2' | C1' | 109.6° | 108.9° |
| H12' | C2' | C1' | 109.7° | 108.9° |
| C2' | C1' | S4' | 104.5° | 102.6° |
| C2' | C1' | H1' | 110.7° | 110.9° |
| H15' | C5' | H25' | 109.9° | 109.5° |
| H15' | C5' | C4' | 109.3° | 109.5° |
| H25' | C5' | C4' | 109.1° | 109.5° |
| C5' | C4' | H4' | 99.6° | 110.7° |
| C5' | C4' | C3' | 112.9° | 110.8° |
| C5' | C4' | S4' | 116.5° | 110.8° |
| H4' | C4' | C3' | 116.0° | 110.8° |
| H4' | C4' | S4' | 112.3° | 111.0° |
| C3' | C4' | S4' | 100.3° | 102.6° |
| C4' | C3' | O3' | 117.6° | 108.9° |
| C4' | C3' | H3' | 101.5° | 108.9° |
| C4' | S4' | C1' | 98.4° | 94.8° |
| S4' | C1' | H1' | 113.9° | 110.8° |
| O3' | C3' | H3' | 106.9° | 108.7° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O2P | O5' | 112.5° | 120.0° |
| O3P | P | O2P | O1P | 123.2° | 120.0° |
| O3P | P | O5' | O1P | 114.0° | 120.0° |
| O3P | P | O1P | HO1P | 88.6° | 60.0° |
| O3P | P | O5' | C5' | 86.9° | 175.0° |
| HO3P | O3P | P | O2P | 19.6° | 60.0° |
| HO3P | O3P | P | O5' | 95.5° | 180.0° |
| HO3P | O3P | P | O1P | 150.0° | 60.0° |
| O2P | P | O5' | O1P | 130.9° | 120.0° |
| O2P | P | O1P | HO1P | 147.8° | 180.0° |
| O2P | P | O5' | C5' | 28.2° | 55.0° |
| O5' | P | O1P | HO1P | 23.5° | 60.0° |
| P | O5' | C5' | H15' | 56.9° | 60.0° |
| P | O5' | C5' | H25' | 63.3° | 60.0° |
| P | O5' | C5' | C4' | 176.9° | 180.0° |
| O1P | P | O5' | C5' | 159.1° | 65.0° |
| O5' | C5' | H15' | H25' | 119.8° | 120.0° |
| O5' | C5' | H15' | C4' | 120.5° | 120.0° |
| O5' | C5' | H25' | C4' | 120.3° | 120.0° |
| O5' | C5' | C4' | H4' | 161.8° | 178.3° |
| O5' | C5' | C4' | C3' | 74.5° | 55.0° |
| O5' | C5' | C4' | S4' | 40.8° | 58.1° |
| C1' | N1 | C6 | C2 | 179.2° | 179.8° |
| C1' | N1 | C6 | H6 | 1.0° | 0.2° |
| C1' | N1 | C6 | C5 | 179.0° | 179.8° |
| C1' | N1 | C2 | O2 | 1.5° | 0.2° |
| C1' | N1 | C2 | N3 | 178.5° | 179.7° |
| N1 | C1' | C2' | C3' | 93.1° | 142.8° |
| N1 | C1' | C2' | H22' | 26.9° | 22.1° |
| N1 | C1' | C2' | H12' | 146.7° | 96.4° |
| N1 | C1' | C2' | S4' | 118.7° | 118.3° |
| N1 | C1' | C2' | H1' | 118.3° | 123.4° |
| N1 | C1' | S4' | C4' | 118.4° | 152.8° |
| N1 | C1' | S4' | H1' | 118.2° | 123.3° |
| N1 | C6 | H6 | C5 | 180.0° | 180.0° |
| C6 | N1 | C2 | O2 | 179.2° | 180.0° |
| C6 | N1 | C2 | N3 | 0.8° | 0.1° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | H5 | 179.3° | 179.9° |
| C6 | N1 | C1' | C2' | 84.4° | 125.0° |
| C6 | N1 | C1' | S4' | 31.4° | 121.9° |
| C6 | N1 | C1' | H1' | 154.5° | 1.5° |
| C2 | N1 | C6 | H6 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.0° |
| N1 | C2 | O2 | N3 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.1° |
| C2 | N1 | C1' | C2' | 94.8° | 55.2° |
| C2 | N1 | C1' | S4' | 149.4° | 57.9° |
| C2 | N1 | C1' | H1' | 26.3° | 178.7° |
| H6 | C6 | C5 | C4 | 179.3° | 180.0° |
| H6 | C6 | C5 | H5 | 0.7° | 0.1° |
| C6 | C5 | C4 | N3 | 1.1° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | N4 | 178.6° | 179.9° |
| O2 | C2 | N3 | C4 | 179.7° | 179.9° |
| C2 | N3 | C4 | C5 | 0.6° | 0.1° |
| C2 | N3 | C4 | N4 | 179.2° | 180.0° |
| N3 | C4 | C5 | N4 | 179.8° | 179.9° |
| N3 | C4 | N4 | H1N4 | 0.1° | 0.1° |
| N3 | C4 | N4 | H2N4 | 179.9° | 180.0° |
| N3 | C4 | C5 | H5 | 178.9° | 179.9° |
| C5 | C4 | N4 | H1N4 | 179.9° | 180.0° |
| C5 | C4 | N4 | H2N4 | 0.1° | 0.1° |
| C4 | N4 | H1N4 | H2N4 | 180.0° | 179.9° |
| N4 | C4 | C5 | H5 | 1.3° | 0.0° |
| C3' | C2' | H22' | H12' | 120.2° | 118.4° |
| C3' | C2' | H22' | C1' | 119.6° | 123.0° |
| C3' | C2' | H12' | C1' | 119.7° | 123.1° |
| C2' | C3' | C4' | C5' | 163.9° | 142.8° |
| C2' | C3' | C4' | H4' | 82.1° | 93.9° |
| C2' | C3' | C4' | O3' | 122.4° | 120.8° |
| C2' | C3' | C4' | H3' | 121.5° | 120.8° |
| C2' | C3' | C4' | S4' | 39.1° | 24.5° |
| C3' | C2' | C1' | S4' | 25.6° | 24.6° |
| C3' | C2' | C1' | H1' | 148.6° | 93.7° |
| C2' | C3' | O3' | H3' | 122.0° | 118.5° |
| C2' | C3' | O3' | HO3' | 52.0° | 57.0° |
| H22' | C2' | H12' | C1' | 120.1° | 118.6° |
| H22' | C2' | C3' | C4' | 164.9° | 120.8° |
| H22' | C2' | C1' | S4' | 145.6° | 96.2° |
| H22' | C2' | C1' | H1' | 91.4° | 145.5° |
| H22' | C2' | C3' | O3' | 66.2° | 118.4° |
| H22' | C2' | C3' | H3' | 51.1° | 0.0° |
| H12' | C2' | C3' | C4' | 75.3° | 120.8° |
| H12' | C2' | C1' | S4' | 94.5° | 145.3° |
| H12' | C2' | C1' | H1' | 28.4° | 27.0° |
| H12' | C2' | C3' | O3' | 53.6° | 0.0° |
| H12' | C2' | C3' | H3' | 170.9° | 118.4° |
| C1' | C2' | C3' | C4' | 44.9° | 0.0° |
| C2' | C1' | S4' | C4' | 2.5° | 34.5° |
| C2' | C1' | S4' | H1' | 120.9° | 118.4° |
| C1' | C2' | C3' | O3' | 173.8° | 120.8° |
| C1' | C2' | C3' | H3' | 68.9° | 120.8° |
| H15' | C5' | H25' | C4' | 119.8° | 120.1° |
| H15' | C5' | C4' | H4' | 78.2° | 58.3° |
| H15' | C5' | C4' | C3' | 45.5° | 65.0° |
| H15' | C5' | C4' | S4' | 160.9° | 178.1° |
| H25' | C5' | C4' | H4' | 42.0° | 61.7° |
| H25' | C5' | C4' | C3' | 165.7° | 175.0° |
| H25' | C5' | C4' | S4' | 79.0° | 61.8° |
| C5' | C4' | H4' | C3' | 121.4° | 123.3° |
| C5' | C4' | H4' | S4' | 124.0° | 123.5° |
| C5' | C4' | C3' | S4' | 124.7° | 118.3° |
| C5' | C4' | S4' | C1' | 142.4° | 152.8° |
| C5' | C4' | C3' | O3' | 73.8° | 96.4° |
| C5' | C4' | C3' | H3' | 42.3° | 22.0° |
| H4' | C4' | C3' | S4' | 121.2° | 118.5° |
| H4' | C4' | S4' | C1' | 103.6° | 83.8° |
| H4' | C4' | C3' | O3' | 40.3° | 26.9° |
| H4' | C4' | C3' | H3' | 156.4° | 145.3° |
| C3' | C4' | S4' | C1' | 20.3° | 34.5° |
| C4' | C3' | O3' | H3' | 113.1° | 118.5° |
| C4' | C3' | O3' | HO3' | 176.8° | 180.0° |
| C4' | S4' | C1' | H1' | 123.4° | 83.8° |
| S4' | C4' | C3' | O3' | 161.5° | 145.3° |
| S4' | C4' | C3' | H3' | 82.4° | 96.3° |
| H3' | C3' | O3' | HO3' | 70.0° | 61.5° |
