THS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O1P | doub | 1.48Å | 1.67Å | |
| P | S2P | sing | 2.12Å | 1.95Å | |
| P | S3P | sing | 2.12Å | 1.95Å | |
| P | O5' | sing | 1.61Å | 1.62Å | |
| S2P | HSP2 | sing | 1.35Å | 0.95Å | |
| S3P | HSP3 | sing | 1.34Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.44Å | 1.40Å | |
| C4' | C3' | sing | 1.55Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C3' | C2' | sing | 1.55Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C1' | N1 | sing | 1.46Å | 1.50Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.34Å | 1.42Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C5 | C5M | sing | 1.51Å | 1.53Å | |
| C5 | C6 | doub | 1.35Å | 1.35Å | |
| C5M | HM51 | sing | 1.09Å | 1.11Å | |
| C5M | HM52 | sing | 1.09Å | 1.12Å | |
| C5M | HM53 | sing | 1.09Å | 1.12Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | S2P | 110.8° | 109.5° |
| O1P | P | S3P | 111.5° | 109.5° |
| O1P | P | O5' | 101.1° | 109.5° |
| S2P | P | S3P | 119.4° | 109.4° |
| S2P | P | O5' | 104.5° | 109.5° |
| P | S2P | HSP2 | 110.8° | 100.0° |
| S3P | P | O5' | 107.6° | 109.5° |
| P | S3P | HSP3 | 111.5° | 100.0° |
| P | O5' | C5' | 119.0° | 106.8° |
| O5' | C5' | C4' | 108.1° | 109.5° |
| O5' | C5' | H5'1 | 112.8° | 109.5° |
| O5' | C5' | H5'2 | 112.7° | 109.5° |
| C4' | C5' | H5'1 | 112.7° | 109.4° |
| C4' | C5' | H5'2 | 112.7° | 109.4° |
| C5' | C4' | O4' | 108.9° | 110.8° |
| C5' | C4' | C3' | 115.4° | 110.6° |
| C5' | C4' | H4' | 104.5° | 110.5° |
| H5'1 | C5' | H5'2 | 97.7° | 109.5° |
| O4' | C4' | C3' | 104.9° | 103.6° |
| O4' | C4' | H4' | 115.0° | 110.5° |
| C4' | O4' | C1' | 112.8° | 106.9° |
| C3' | C4' | H4' | 108.5° | 110.5° |
| C4' | C3' | O3' | 99.7° | 111.1° |
| C4' | C3' | C2' | 107.9° | 102.1° |
| C4' | C3' | H3' | 117.3° | 110.9° |
| O4' | C1' | C2' | 107.1° | 107.4° |
| O4' | C1' | N1 | 110.4° | 109.9° |
| O4' | C1' | H1' | 112.5° | 109.9° |
| O3' | C3' | C2' | 111.8° | 110.9° |
| O3' | C3' | H3' | 113.7° | 110.7° |
| C3' | O3' | HO3' | 99.8° | 107.0° |
| C2' | C3' | H3' | 106.3° | 110.9° |
| C3' | C2' | C1' | 102.5° | 104.2° |
| C3' | C2' | H2'1 | 114.9° | 110.4° |
| C3' | C2' | H2'2 | 114.8° | 110.6° |
| C1' | C2' | H2'1 | 114.8° | 110.5° |
| C1' | C2' | H2'2 | 114.8° | 110.5° |
| C2' | C1' | N1 | 115.1° | 109.9° |
| C2' | C1' | H1' | 107.7° | 109.8° |
| H2'1 | C2' | H2'2 | 95.7° | 110.5° |
| N1 | C1' | H1' | 104.1° | 109.9° |
| C1' | N1 | C2 | 114.8° | 119.7° |
| C1' | N1 | C6 | 123.2° | 119.7° |
| C2 | N1 | C6 | 121.7° | 120.6° |
| N1 | C2 | O2 | 123.9° | 119.5° |
| N1 | C2 | N3 | 115.4° | 120.9° |
| N1 | C6 | C5 | 119.9° | 119.6° |
| N1 | C6 | H6 | 120.9° | 120.2° |
| O2 | C2 | N3 | 120.6° | 119.5° |
| C2 | N3 | C4 | 126.6° | 120.2° |
| C2 | N3 | HN3 | 117.1° | 119.8° |
| C4 | N3 | HN3 | 116.3° | 119.9° |
| N3 | C4 | O4 | 119.2° | 120.3° |
| N3 | C4 | C5 | 114.5° | 119.4° |
| O4 | C4 | C5 | 126.3° | 120.3° |
| C4 | C5 | C5M | 116.9° | 120.5° |
| C4 | C5 | C6 | 121.9° | 119.1° |
| C5M | C5 | C6 | 121.2° | 120.4° |
| C5 | C5M | HM51 | 116.9° | 109.5° |
| C5 | C5M | HM52 | 109.5° | 109.5° |
| C5 | C5M | HM53 | 109.5° | 109.5° |
| C5 | C6 | H6 | 119.2° | 120.2° |
| HM51 | C5M | HM52 | 109.6° | 109.5° |
| HM51 | C5M | HM53 | 109.6° | 109.4° |
| HM52 | C5M | HM53 | 100.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | S2P | S3P | 131.6° | 120.0° |
| O1P | P | S2P | O5' | 108.1° | 120.0° |
| O1P | P | S3P | O5' | 110.0° | 120.0° |
| O1P | P | S2P | HSP2 | 180.0° | 60.0° |
| O1P | P | S3P | HSP3 | 180.0° | 180.0° |
| O1P | P | O5' | C5' | 68.0° | 60.0° |
| S2P | P | S3P | O5' | 118.7° | 120.0° |
| S2P | P | S3P | HSP3 | 48.7° | 60.0° |
| S2P | P | O5' | C5' | 176.9° | 180.0° |
| S3P | P | S2P | HSP2 | 48.4° | 60.0° |
| S3P | P | O5' | C5' | 49.0° | 60.0° |
| O5' | P | S2P | HSP2 | 71.8° | 180.0° |
| O5' | P | S3P | HSP3 | 70.0° | 60.0° |
| P | O5' | C5' | C4' | 135.9° | 180.0° |
| P | O5' | C5' | H5'1 | 10.6° | 60.0° |
| P | O5' | C5' | H5'2 | 98.9° | 60.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.1° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.7° | 120.0° |
| O5' | C5' | C4' | O4' | 58.4° | 65.7° |
| O5' | C5' | C4' | C3' | 59.2° | 180.0° |
| O5' | C5' | C4' | H4' | 178.2° | 57.2° |
| C4' | C5' | H5'1 | H5'2 | 118.6° | 119.9° |
| C5' | C4' | O4' | C3' | 124.1° | 118.7° |
| C5' | C4' | O4' | H4' | 116.8° | 122.9° |
| C5' | C4' | C3' | H4' | 116.8° | 122.8° |
| C5' | C4' | O4' | C1' | 119.6° | 158.5° |
| C5' | C4' | C3' | O3' | 140.3° | 86.1° |
| C5' | C4' | C3' | C2' | 102.9° | 155.7° |
| C5' | C4' | C3' | H3' | 17.0° | 37.5° |
| H5'1 | C5' | C4' | O4' | 176.3° | 174.2° |
| H5'1 | C5' | C4' | C3' | 66.1° | 59.9° |
| H5'1 | C5' | C4' | H4' | 52.9° | 62.9° |
| H5'2 | C5' | C4' | O4' | 66.8° | 54.3° |
| H5'2 | C5' | C4' | C3' | 175.5° | 60.1° |
| H5'2 | C5' | C4' | H4' | 56.5° | 177.2° |
| O4' | C4' | C3' | H4' | 123.4° | 118.5° |
| O4' | C4' | C3' | O3' | 99.9° | 155.2° |
| O4' | C4' | C3' | C2' | 16.9° | 36.9° |
| O4' | C4' | C3' | H3' | 136.9° | 81.3° |
| C4' | O4' | C1' | C2' | 9.4° | 26.3° |
| C4' | O4' | C1' | N1 | 135.4° | 145.8° |
| C4' | O4' | C1' | H1' | 108.8° | 93.1° |
| C3' | C4' | O4' | C1' | 4.5° | 39.9° |
| C4' | C3' | O3' | C2' | 113.9° | 112.8° |
| C4' | C3' | O3' | H3' | 125.7° | 123.7° |
| C4' | C3' | C2' | H3' | 126.6° | 118.2° |
| C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
| C4' | C3' | C2' | C1' | 21.8° | 20.8° |
| C4' | C3' | C2' | H2'1 | 103.4° | 97.8° |
| C4' | C3' | C2' | H2'2 | 147.0° | 139.5° |
| H4' | C4' | O4' | C1' | 123.6° | 78.6° |
| H4' | C4' | C3' | O3' | 23.5° | 36.7° |
| H4' | C4' | C3' | C2' | 140.3° | 81.5° |
| H4' | C4' | C3' | H3' | 99.7° | 160.3° |
| O4' | C1' | C2' | C3' | 19.0° | 2.0° |
| O4' | C1' | C2' | N1 | 123.1° | 119.5° |
| O4' | C1' | C2' | H1' | 121.3° | 119.5° |
| O4' | C1' | C2' | H2'1 | 106.3° | 120.6° |
| O4' | C1' | C2' | H2'2 | 144.2° | 116.8° |
| O4' | C1' | N1 | H1' | 121.0° | 121.0° |
| O4' | C1' | N1 | C2 | 116.9° | 58.3° |
| O4' | C1' | N1 | C6 | 57.1° | 121.7° |
| O3' | C3' | C2' | H3' | 124.7° | 123.4° |
| O3' | C3' | C2' | C1' | 86.9° | 139.2° |
| O3' | C3' | C2' | H2'1 | 147.9° | 20.5° |
| O3' | C3' | C2' | H2'2 | 38.3° | 102.1° |
| C2' | C3' | O3' | HO3' | 66.1° | 61.4° |
| C3' | C2' | C1' | H2'1 | 125.3° | 118.6° |
| C3' | C2' | C1' | H2'2 | 125.2° | 118.7° |
| C3' | C2' | H2'1 | H2'2 | 120.7° | 122.7° |
| C3' | C2' | C1' | N1 | 142.1° | 121.5° |
| C3' | C2' | C1' | H1' | 102.3° | 117.5° |
| H3' | C3' | O3' | HO3' | 54.3° | 62.1° |
| H3' | C3' | C2' | C1' | 148.5° | 97.4° |
| H3' | C3' | C2' | H2'1 | 23.2° | 144.0° |
| H3' | C3' | C2' | H2'2 | 86.3° | 21.3° |
| C1' | C2' | H2'1 | H2'2 | 120.7° | 122.6° |
| C2' | C1' | N1 | H1' | 117.6° | 121.0° |
| C2' | C1' | N1 | C2 | 121.7° | 59.7° |
| C2' | C1' | N1 | C6 | 64.3° | 120.3° |
| H2'1 | C2' | C1' | N1 | 16.8° | 119.9° |
| H2'1 | C2' | C1' | H1' | 132.4° | 1.1° |
| H2'2 | C2' | C1' | N1 | 92.7° | 2.8° |
| H2'2 | C2' | C1' | H1' | 22.9° | 123.8° |
| C1' | N1 | C2 | C6 | 174.1° | 179.9° |
| C1' | N1 | C2 | O2 | 6.4° | 0.1° |
| C1' | N1 | C2 | N3 | 174.6° | 180.0° |
| C1' | N1 | C6 | C5 | 173.5° | 180.0° |
| C1' | N1 | C6 | H6 | 6.5° | 0.1° |
| H1' | C1' | N1 | C2 | 4.1° | 179.4° |
| H1' | C1' | N1 | C6 | 178.1° | 0.7° |
| N1 | C2 | O2 | N3 | 179.0° | 179.9° |
| N1 | C2 | N3 | C4 | 1.1° | 0.2° |
| N1 | C2 | N3 | HN3 | 179.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | H6 | 179.9° | 179.9° |
| C6 | N1 | C2 | O2 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.1° |
| N1 | C6 | C5 | C4 | 0.1° | 0.3° |
| N1 | C6 | C5 | C5M | 179.4° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.8° |
| O2 | C2 | N3 | C4 | 179.8° | 179.8° |
| O2 | C2 | N3 | HN3 | 0.1° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | O4 | 178.8° | 180.0° |
| C2 | N3 | C4 | C5 | 1.0° | 0.4° |
| N3 | C4 | O4 | C5 | 179.8° | 179.6° |
| N3 | C4 | C5 | C5M | 179.0° | 179.8° |
| N3 | C4 | C5 | C6 | 0.4° | 0.5° |
| HN3 | N3 | C4 | O4 | 1.1° | 0.2° |
| HN3 | N3 | C4 | C5 | 179.0° | 179.8° |
| O4 | C4 | C5 | C5M | 1.2° | 0.2° |
| O4 | C4 | C5 | C6 | 179.5° | 179.9° |
| C4 | C5 | C5M | C6 | 179.3° | 179.7° |
| C4 | C5 | C5M | HM51 | 180.0° | 0.3° |
| C4 | C5 | C5M | HM52 | 54.7° | 119.7° |
| C4 | C5 | C5M | HM53 | 54.7° | 120.2° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C5M | HM51 | HM52 | 125.3° | 120.1° |
| C5 | C5M | HM51 | HM53 | 125.2° | 120.0° |
| C5 | C5M | HM52 | HM53 | 115.2° | 120.0° |
| C5M | C5 | C6 | H6 | 0.5° | 0.2° |
| C6 | C5 | C5M | HM51 | 0.7° | 180.0° |
| C6 | C5 | C5M | HM52 | 124.6° | 60.0° |
| C6 | C5 | C5M | HM53 | 125.9° | 60.1° |
| HM51 | C5M | HM52 | HM53 | 115.4° | 120.0° |
