PST
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | OP1 | sing | 1.61Å | 1.52Å | |
| P | OP2 | sing | 1.61Å | 1.59Å | |
| P | SP | doub | 1.86Å | 1.88Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| OP1 | HOP1 | sing | 0.97Å | 0.95Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.42Å | |
| C4' | C3' | sing | 1.55Å | 1.48Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3 | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.50Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| C2' | H2'' | sing | 1.09Å | 1.11Å | |
| C1' | N1 | sing | 1.47Å | 1.49Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | sing | 1.37Å | 1.40Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.21Å | |
| C4 | C5 | sing | 1.42Å | 1.45Å | |
| C5 | C5M | sing | 1.51Å | 1.54Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C5M | H71 | sing | 1.09Å | 1.12Å | |
| C5M | H72 | sing | 1.09Å | 1.11Å | |
| C5M | H73 | sing | 1.09Å | 1.11Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | OP2 | 104.2° | 109.4° |
| OP1 | P | SP | 118.6° | 109.4° |
| OP1 | P | O5' | 102.9° | 109.5° |
| P | OP1 | HOP1 | 104.1° | 106.8° |
| OP2 | P | SP | 113.7° | 109.5° |
| OP2 | P | O5' | 99.2° | 109.5° |
| P | OP2 | HOP2 | 104.2° | 106.9° |
| SP | P | O5' | 115.8° | 109.5° |
| P | O5' | C5' | 119.0° | 106.8° |
| O5' | C5' | C4' | 113.2° | 109.5° |
| O5' | C5' | H5' | 110.9° | 109.4° |
| O5' | C5' | H5'' | 110.8° | 109.5° |
| C4' | C5' | H5' | 110.9° | 109.5° |
| C4' | C5' | H5'' | 110.9° | 109.5° |
| C5' | C4' | O4' | 108.8° | 110.7° |
| C5' | C4' | C3' | 110.9° | 110.6° |
| C5' | C4' | H4' | 107.5° | 110.5° |
| H5' | C5' | H5'' | 99.4° | 109.5° |
| O4' | C4' | C3' | 104.6° | 103.6° |
| O4' | C4' | H4' | 113.5° | 110.5° |
| C4' | O4' | C1' | 107.5° | 106.8° |
| C3' | C4' | H4' | 111.6° | 110.6° |
| C4' | C3' | O3' | 112.0° | 110.9° |
| C4' | C3' | C2' | 100.1° | 102.1° |
| C4' | C3' | H3' | 114.5° | 110.9° |
| O4' | C1' | C2' | 106.2° | 107.5° |
| O4' | C1' | N1 | 104.8° | 109.9° |
| O4' | C1' | H1' | 117.3° | 109.9° |
| O3' | C3' | C2' | 111.3° | 110.9° |
| O3' | C3' | H3' | 104.0° | 110.8° |
| C3' | O3' | HO3 | 112.1° | 106.8° |
| C2' | C3' | H3' | 115.3° | 110.9° |
| C3' | C2' | C1' | 100.8° | 104.2° |
| C3' | C2' | H2' | 115.5° | 110.5° |
| C3' | C2' | H2'' | 115.5° | 110.5° |
| C1' | C2' | H2' | 115.5° | 110.5° |
| C1' | C2' | H2'' | 115.5° | 110.5° |
| C2' | C1' | N1 | 116.8° | 109.9° |
| C2' | C1' | H1' | 105.4° | 109.8° |
| H2' | C2' | H2'' | 95.0° | 110.5° |
| N1 | C1' | H1' | 106.8° | 109.9° |
| C1' | N1 | C2 | 116.0° | 119.7° |
| C1' | N1 | C6 | 123.4° | 119.6° |
| C2 | N1 | C6 | 120.6° | 120.6° |
| N1 | C2 | O2 | 125.6° | 119.5° |
| N1 | C2 | N3 | 116.9° | 120.9° |
| N1 | C6 | C5 | 121.9° | 119.7° |
| N1 | C6 | H6 | 120.7° | 120.2° |
| O2 | C2 | N3 | 117.5° | 119.5° |
| C2 | N3 | C4 | 125.5° | 120.2° |
| C2 | N3 | HN3 | 116.0° | 119.9° |
| C4 | N3 | HN3 | 118.5° | 119.9° |
| N3 | C4 | O4 | 117.2° | 120.3° |
| N3 | C4 | C5 | 116.8° | 119.4° |
| O4 | C4 | C5 | 126.0° | 120.3° |
| C4 | C5 | C5M | 121.4° | 120.4° |
| C4 | C5 | C6 | 118.2° | 119.1° |
| C5M | C5 | C6 | 120.5° | 120.5° |
| C5 | C5M | H71 | 121.4° | 109.5° |
| C5 | C5M | H72 | 108.0° | 109.5° |
| C5 | C5M | H73 | 108.0° | 109.5° |
| C5 | C6 | H6 | 117.4° | 120.1° |
| H71 | C5M | H72 | 108.0° | 109.4° |
| H71 | C5M | H73 | 107.9° | 109.5° |
| H72 | C5M | H73 | 102.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | OP2 | SP | 130.5° | 120.0° |
| OP1 | P | OP2 | O5' | 105.9° | 120.0° |
| OP1 | P | SP | O5' | 123.1° | 120.0° |
| OP1 | P | OP2 | HOP2 | 180.0° | 60.0° |
| OP1 | P | O5' | C5' | 167.3° | 180.0° |
| OP2 | P | SP | O5' | 114.0° | 120.1° |
| OP2 | P | OP1 | HOP1 | 179.9° | 60.0° |
| OP2 | P | O5' | C5' | 60.4° | 60.1° |
| SP | P | OP1 | HOP1 | 52.4° | 60.0° |
| SP | P | OP2 | HOP2 | 49.5° | 180.0° |
| SP | P | O5' | C5' | 61.7° | 60.0° |
| O5' | P | OP1 | HOP1 | 76.9° | 180.0° |
| O5' | P | OP2 | HOP2 | 74.1° | 60.0° |
| P | O5' | C5' | C4' | 168.0° | 180.0° |
| P | O5' | C5' | H5' | 66.6° | 60.0° |
| P | O5' | C5' | H5'' | 42.7° | 60.0° |
| O5' | C5' | C4' | H5' | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'' | 125.3° | 120.0° |
| O5' | C5' | H5' | H5'' | 116.7° | 120.0° |
| O5' | C5' | C4' | O4' | 55.1° | 65.7° |
| O5' | C5' | C4' | C3' | 59.3° | 180.0° |
| O5' | C5' | C4' | H4' | 178.5° | 57.1° |
| C4' | C5' | H5' | H5'' | 116.7° | 120.0° |
| C5' | C4' | O4' | C3' | 118.5° | 118.6° |
| C5' | C4' | O4' | H4' | 119.6° | 122.8° |
| C5' | C4' | C3' | H4' | 119.8° | 122.8° |
| C5' | C4' | O4' | C1' | 144.6° | 158.5° |
| C5' | C4' | C3' | O3' | 81.6° | 86.1° |
| C5' | C4' | C3' | C2' | 160.3° | 155.7° |
| C5' | C4' | C3' | H3' | 36.5° | 37.5° |
| H5' | C5' | C4' | O4' | 179.5° | 174.3° |
| H5' | C5' | C4' | C3' | 66.0° | 60.0° |
| H5' | C5' | C4' | H4' | 56.2° | 62.9° |
| H5'' | C5' | C4' | O4' | 70.2° | 54.3° |
| H5'' | C5' | C4' | C3' | 175.4° | 60.0° |
| H5'' | C5' | C4' | H4' | 53.2° | 177.1° |
| O4' | C4' | C3' | H4' | 123.1° | 118.5° |
| O4' | C4' | C3' | O3' | 161.3° | 155.2° |
| O4' | C4' | C3' | C2' | 43.2° | 37.0° |
| O4' | C4' | C3' | H3' | 80.6° | 81.2° |
| C4' | O4' | C1' | C2' | 1.8° | 26.3° |
| C4' | O4' | C1' | N1 | 122.4° | 145.8° |
| C4' | O4' | C1' | H1' | 119.3° | 93.2° |
| C3' | C4' | O4' | C1' | 26.1° | 39.9° |
| C4' | C3' | O3' | C2' | 111.1° | 112.7° |
| C4' | C3' | O3' | H3' | 124.2° | 123.7° |
| C4' | C3' | C2' | H3' | 123.3° | 118.2° |
| C4' | C3' | O3' | HO3 | 180.0° | 174.1° |
| C4' | C3' | C2' | C1' | 42.6° | 20.9° |
| C4' | C3' | C2' | H2' | 167.9° | 97.8° |
| C4' | C3' | C2' | H2'' | 82.6° | 139.5° |
| H4' | C4' | O4' | C1' | 95.8° | 78.7° |
| H4' | C4' | C3' | O3' | 38.1° | 36.7° |
| H4' | C4' | C3' | C2' | 79.9° | 81.5° |
| H4' | C4' | C3' | H3' | 156.2° | 160.4° |
| O4' | C1' | C2' | C3' | 28.3° | 1.9° |
| O4' | C1' | C2' | N1 | 116.4° | 119.5° |
| O4' | C1' | C2' | H1' | 125.2° | 119.5° |
| O4' | C1' | C2' | H2' | 153.6° | 120.6° |
| O4' | C1' | C2' | H2'' | 96.9° | 116.7° |
| O4' | C1' | N1 | H1' | 125.1° | 121.1° |
| O4' | C1' | N1 | C2 | 162.3° | 58.3° |
| O4' | C1' | N1 | C6 | 17.0° | 121.7° |
| O3' | C3' | C2' | H3' | 118.1° | 123.6° |
| O3' | C3' | C2' | C1' | 161.2° | 139.1° |
| O3' | C3' | C2' | H2' | 73.5° | 20.4° |
| O3' | C3' | C2' | H2'' | 36.0° | 102.2° |
| C2' | C3' | O3' | HO3 | 68.9° | 61.4° |
| C3' | C2' | C1' | H2' | 125.3° | 118.7° |
| C3' | C2' | C1' | H2'' | 125.2° | 118.6° |
| C3' | C2' | H2' | H2'' | 121.4° | 122.6° |
| C3' | C2' | C1' | N1 | 88.1° | 121.4° |
| C3' | C2' | C1' | H1' | 153.5° | 117.6° |
| H3' | C3' | O3' | HO3 | 55.8° | 62.2° |
| H3' | C3' | C2' | C1' | 80.7° | 97.3° |
| H3' | C3' | C2' | H2' | 44.6° | 144.0° |
| H3' | C3' | C2' | H2'' | 154.1° | 21.4° |
| C1' | C2' | H2' | H2'' | 121.4° | 122.6° |
| C2' | C1' | N1 | H1' | 117.7° | 120.9° |
| C2' | C1' | N1 | C2 | 80.5° | 59.7° |
| C2' | C1' | N1 | C6 | 100.3° | 120.2° |
| H2' | C2' | C1' | N1 | 37.2° | 119.9° |
| H2' | C2' | C1' | H1' | 81.3° | 1.1° |
| H2'' | C2' | C1' | N1 | 146.7° | 2.8° |
| H2'' | C2' | C1' | H1' | 28.3° | 123.8° |
| C1' | N1 | C2 | C6 | 179.3° | 180.0° |
| C1' | N1 | C2 | O2 | 1.3° | 0.1° |
| C1' | N1 | C2 | N3 | 179.0° | 180.0° |
| C1' | N1 | C6 | C5 | 179.1° | 180.0° |
| C1' | N1 | C6 | H6 | 0.8° | 0.1° |
| H1' | C1' | N1 | C2 | 37.2° | 179.4° |
| H1' | C1' | N1 | C6 | 142.1° | 0.7° |
| N1 | C2 | O2 | N3 | 179.7° | 179.9° |
| N1 | C2 | N3 | C4 | 0.2° | 0.2° |
| N1 | C2 | N3 | HN3 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| C6 | N1 | C2 | O2 | 179.4° | 179.9° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.3° |
| N1 | C6 | C5 | C5M | 178.9° | 180.0° |
| N1 | C6 | C5 | H6 | 179.9° | 179.9° |
| O2 | C2 | N3 | C4 | 179.6° | 179.7° |
| O2 | C2 | N3 | HN3 | 0.4° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 178.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.4° |
| N3 | C4 | O4 | C5 | 178.9° | 179.6° |
| N3 | C4 | C5 | C5M | 178.7° | 179.8° |
| N3 | C4 | C5 | C6 | 0.3° | 0.4° |
| HN3 | N3 | C4 | O4 | 1.2° | 0.2° |
| HN3 | N3 | C4 | C5 | 179.9° | 179.8° |
| O4 | C4 | C5 | C5M | 2.4° | 0.2° |
| O4 | C4 | C5 | C6 | 178.5° | 179.9° |
| C4 | C5 | C5M | C6 | 179.1° | 179.7° |
| C4 | C5 | C5M | H71 | 180.0° | 0.3° |
| C4 | C5 | C5M | H72 | 54.7° | 119.7° |
| C4 | C5 | C5M | H73 | 54.8° | 120.3° |
| C4 | C5 | C6 | H6 | 179.7° | 179.8° |
| C5 | C5M | H71 | H72 | 125.3° | 120.0° |
| C5 | C5M | H71 | H73 | 125.2° | 120.0° |
| C5 | C5M | H72 | H73 | 113.6° | 120.0° |
| C5M | C5 | C6 | H6 | 1.2° | 0.1° |
| C6 | C5 | C5M | H71 | 0.9° | 180.0° |
| C6 | C5 | C5M | H72 | 124.3° | 60.0° |
| C6 | C5 | C5M | H73 | 126.1° | 60.0° |
| H71 | C5M | H72 | H73 | 113.5° | 120.0° |
