THP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P2 | O4P | doub | 1.48Å | 1.48Å | |
| P2 | O5P | sing | 1.61Å | 1.48Å | |
| P2 | O6P | sing | 1.61Å | 1.59Å | |
| P2 | O5' | sing | 1.61Å | 1.58Å | |
| O5P | HOP5 | sing | 0.97Å | 0.95Å | |
| O6P | HOP6 | sing | 0.97Å | 0.95Å | |
| P1 | O1P | doub | 1.48Å | 1.47Å | |
| P1 | O2P | sing | 1.61Å | 1.48Å | |
| P1 | O3P | sing | 1.61Å | 1.60Å | |
| P1 | O3' | sing | 1.61Å | 1.61Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O5' | C5' | sing | 1.43Å | 1.40Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C4' | O4' | sing | 1.45Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.50Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.55Å | 1.50Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C2' | H2'1 | sing | 1.09Å | 1.12Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C1' | N1 | sing | 1.46Å | 1.47Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| N1 | C6 | sing | 1.37Å | 1.39Å | |
| C2 | O2 | doub | 1.21Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.22Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C5 | C5M | sing | 1.51Å | 1.54Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C5M | H51 | sing | 1.09Å | 1.12Å | |
| C5M | H52 | sing | 1.09Å | 1.12Å | |
| C5M | H53 | 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) |
| O4P | P2 | O5P | 120.9° | 109.4° |
| O4P | P2 | O6P | 108.0° | 109.5° |
| O4P | P2 | O5' | 107.7° | 109.4° |
| O5P | P2 | O6P | 108.9° | 109.5° |
| O5P | P2 | O5' | 107.7° | 109.5° |
| P2 | O5P | HOP5 | 120.9° | 106.9° |
| O6P | P2 | O5' | 102.0° | 109.5° |
| P2 | O6P | HOP6 | 108.0° | 106.8° |
| P2 | O5' | C5' | 120.6° | 106.9° |
| O1P | P1 | O2P | 128.1° | 109.5° |
| O1P | P1 | O3P | 105.4° | 109.5° |
| O1P | P1 | O3' | 101.9° | 109.4° |
| O2P | P1 | O3P | 105.2° | 109.5° |
| O2P | P1 | O3' | 107.0° | 109.5° |
| P1 | O2P | HOP2 | 128.0° | 106.8° |
| O3P | P1 | O3' | 108.2° | 109.4° |
| P1 | O3P | HOP3 | 105.5° | 106.8° |
| P1 | O3' | C3' | 121.7° | 106.8° |
| O5' | C5' | C4' | 107.3° | 109.5° |
| O5' | C5' | H5'1 | 113.0° | 109.4° |
| O5' | C5' | H5'2 | 113.0° | 109.4° |
| C4' | C5' | H5'1 | 113.1° | 109.5° |
| C4' | C5' | H5'2 | 113.0° | 109.5° |
| C5' | C4' | O4' | 110.3° | 110.8° |
| C5' | C4' | C3' | 109.5° | 110.6° |
| C5' | C4' | H4' | 107.8° | 110.6° |
| H5'1 | C5' | H5'2 | 97.4° | 109.5° |
| O4' | C4' | C3' | 106.1° | 103.6° |
| O4' | C4' | H4' | 111.2° | 110.5° |
| C4' | O4' | C1' | 108.9° | 106.9° |
| C3' | C4' | H4' | 111.9° | 110.6° |
| C4' | C3' | O3' | 109.8° | 110.9° |
| C4' | C3' | C2' | 104.8° | 102.1° |
| C4' | C3' | H3' | 112.5° | 110.9° |
| O4' | C1' | C2' | 107.7° | 107.4° |
| O4' | C1' | N1 | 113.6° | 109.9° |
| O4' | C1' | H1' | 106.9° | 109.9° |
| O3' | C3' | C2' | 110.1° | 110.9° |
| O3' | C3' | H3' | 107.4° | 110.9° |
| C2' | C3' | H3' | 112.2° | 110.9° |
| C3' | C2' | C1' | 101.1° | 104.2° |
| C3' | C2' | H2'1 | 115.4° | 110.5° |
| C3' | C2' | H2'2 | 115.4° | 110.5° |
| C1' | C2' | H2'1 | 115.4° | 110.5° |
| C1' | C2' | H2'2 | 115.4° | 110.5° |
| C2' | C1' | N1 | 106.1° | 109.8° |
| C2' | C1' | H1' | 114.3° | 109.9° |
| H2'1 | C2' | H2'2 | 95.0° | 110.5° |
| N1 | C1' | H1' | 108.5° | 109.9° |
| C1' | N1 | C2 | 116.4° | 119.7° |
| C1' | N1 | C6 | 122.5° | 119.7° |
| C2 | N1 | C6 | 121.0° | 120.6° |
| N1 | C2 | O2 | 123.6° | 119.5° |
| N1 | C2 | N3 | 117.0° | 120.9° |
| N1 | C6 | C5 | 121.1° | 119.7° |
| N1 | C6 | H6 | 120.6° | 120.1° |
| O2 | C2 | N3 | 119.4° | 119.6° |
| C2 | N3 | C4 | 125.6° | 120.3° |
| C2 | N3 | H3 | 116.9° | 119.8° |
| C4 | N3 | H3 | 117.5° | 119.9° |
| N3 | C4 | O4 | 118.0° | 120.3° |
| N3 | C4 | C5 | 115.6° | 119.4° |
| O4 | C4 | C5 | 126.3° | 120.3° |
| C4 | C5 | C5M | 119.6° | 120.5° |
| C4 | C5 | C6 | 119.7° | 119.1° |
| C5M | C5 | C6 | 120.7° | 120.4° |
| C5 | C5M | H51 | 119.6° | 109.4° |
| C5 | C5M | H52 | 108.6° | 109.5° |
| C5 | C5M | H53 | 108.6° | 109.5° |
| C5 | C6 | H6 | 118.3° | 120.2° |
| H51 | C5M | H52 | 108.5° | 109.4° |
| H51 | C5M | H53 | 108.6° | 109.5° |
| H52 | C5M | H53 | 101.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4P | P2 | O5P | O6P | 125.9° | 119.9° |
| O4P | P2 | O5P | O5' | 124.2° | 120.0° |
| O4P | P2 | O6P | O5' | 113.3° | 120.0° |
| O4P | P2 | O5P | HOP5 | 179.9° | 60.1° |
| O4P | P2 | O6P | HOP6 | 180.0° | 180.0° |
| O4P | P2 | O5' | C5' | 54.1° | 60.0° |
| O5P | P2 | O6P | O5' | 113.7° | 120.1° |
| O5P | P2 | O6P | HOP6 | 46.9° | 60.1° |
| O5P | P2 | O5' | C5' | 174.0° | 180.0° |
| O6P | P2 | O5P | HOP5 | 54.1° | 59.9° |
| O6P | P2 | O5' | C5' | 59.4° | 60.0° |
| O5' | P2 | O5P | HOP5 | 55.8° | 180.0° |
| O5' | P2 | O6P | HOP6 | 66.8° | 60.0° |
| P2 | O5' | C5' | C4' | 142.6° | 180.0° |
| P2 | O5' | C5' | H5'1 | 92.1° | 59.9° |
| P2 | O5' | C5' | H5'2 | 17.3° | 60.0° |
| O1P | P1 | O2P | O3P | 124.3° | 120.0° |
| O1P | P1 | O2P | O3' | 120.8° | 120.0° |
| O1P | P1 | O3P | O3' | 108.4° | 120.0° |
| O1P | P1 | O2P | HOP2 | 180.0° | 60.0° |
| O1P | P1 | O3P | HOP3 | 180.0° | 180.0° |
| O1P | P1 | O3' | C3' | 145.0° | 60.0° |
| O2P | P1 | O3P | O3' | 114.1° | 120.0° |
| O2P | P1 | O3P | HOP3 | 42.4° | 60.0° |
| O2P | P1 | O3' | C3' | 78.7° | 180.0° |
| O3P | P1 | O2P | HOP2 | 55.7° | 60.0° |
| O3P | P1 | O3' | C3' | 34.2° | 60.0° |
| O3' | P1 | O2P | HOP2 | 59.2° | 180.0° |
| O3' | P1 | O3P | HOP3 | 71.6° | 60.0° |
| P1 | O3' | C3' | C4' | 82.0° | 125.9° |
| P1 | O3' | C3' | C2' | 163.2° | 121.5° |
| P1 | O3' | C3' | H3' | 40.7° | 2.1° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.9° | 119.9° |
| O5' | C5' | C4' | O4' | 55.0° | 65.7° |
| O5' | C5' | C4' | C3' | 171.4° | 180.0° |
| O5' | C5' | C4' | H4' | 66.6° | 57.2° |
| C4' | C5' | H5'1 | H5'2 | 118.9° | 120.0° |
| C5' | C4' | O4' | C3' | 118.5° | 118.6° |
| C5' | C4' | O4' | H4' | 119.6° | 122.9° |
| C5' | C4' | C3' | H4' | 119.5° | 122.8° |
| C5' | C4' | O4' | C1' | 108.9° | 158.5° |
| C5' | C4' | C3' | O3' | 150.5° | 86.1° |
| C5' | C4' | C3' | C2' | 91.3° | 155.7° |
| C5' | C4' | C3' | H3' | 30.9° | 37.6° |
| H5'1 | C5' | C4' | O4' | 70.3° | 174.3° |
| H5'1 | C5' | C4' | C3' | 46.1° | 60.0° |
| H5'1 | C5' | C4' | H4' | 168.1° | 62.8° |
| H5'2 | C5' | C4' | O4' | 179.7° | 54.3° |
| H5'2 | C5' | C4' | C3' | 63.3° | 60.0° |
| H5'2 | C5' | C4' | H4' | 58.7° | 177.1° |
| O4' | C4' | C3' | H4' | 121.4° | 118.4° |
| O4' | C4' | C3' | O3' | 90.5° | 155.2° |
| O4' | C4' | C3' | C2' | 27.7° | 36.9° |
| O4' | C4' | C3' | H3' | 149.9° | 81.2° |
| C4' | O4' | C1' | C2' | 12.0° | 26.3° |
| C4' | O4' | C1' | N1 | 129.2° | 145.8° |
| C4' | O4' | C1' | H1' | 111.2° | 93.2° |
| C3' | C4' | O4' | C1' | 9.7° | 39.9° |
| C4' | C3' | O3' | C2' | 114.9° | 112.7° |
| C4' | C3' | O3' | H3' | 122.7° | 123.7° |
| C4' | C3' | C2' | H3' | 122.4° | 118.2° |
| C4' | C3' | C2' | C1' | 33.4° | 20.9° |
| C4' | C3' | C2' | H2'1 | 91.9° | 97.8° |
| C4' | C3' | C2' | H2'2 | 158.7° | 139.6° |
| H4' | C4' | O4' | C1' | 131.5° | 78.6° |
| H4' | C4' | C3' | O3' | 30.9° | 36.7° |
| H4' | C4' | C3' | C2' | 149.2° | 81.5° |
| H4' | C4' | C3' | H3' | 88.6° | 160.4° |
| O4' | C1' | C2' | C3' | 28.3° | 1.9° |
| O4' | C1' | C2' | N1 | 122.0° | 119.6° |
| O4' | C1' | C2' | H1' | 118.6° | 119.5° |
| O4' | C1' | C2' | H2'1 | 96.9° | 120.6° |
| O4' | C1' | C2' | H2'2 | 153.6° | 116.7° |
| O4' | C1' | N1 | H1' | 118.7° | 121.1° |
| O4' | C1' | N1 | C2 | 145.9° | 58.3° |
| O4' | C1' | N1 | C6 | 38.4° | 121.7° |
| O3' | C3' | C2' | H3' | 119.6° | 123.6° |
| O3' | C3' | C2' | C1' | 84.6° | 139.1° |
| O3' | C3' | C2' | H2'1 | 150.1° | 20.4° |
| O3' | C3' | C2' | H2'2 | 40.7° | 102.2° |
| C3' | C2' | C1' | H2'1 | 125.3° | 118.6° |
| C3' | C2' | C1' | H2'2 | 125.2° | 118.7° |
| C3' | C2' | H2'1 | H2'2 | 121.2° | 122.6° |
| C3' | C2' | C1' | N1 | 150.3° | 121.5° |
| C3' | C2' | C1' | H1' | 90.3° | 117.6° |
| H3' | C3' | C2' | C1' | 155.8° | 97.3° |
| H3' | C3' | C2' | H2'1 | 30.5° | 144.1° |
| H3' | C3' | C2' | H2'2 | 78.9° | 21.4° |
| C1' | C2' | H2'1 | H2'2 | 121.3° | 122.7° |
| C2' | C1' | N1 | H1' | 123.2° | 120.9° |
| C2' | C1' | N1 | C2 | 96.0° | 59.7° |
| C2' | C1' | N1 | C6 | 79.7° | 120.3° |
| H2'1 | C2' | C1' | N1 | 25.0° | 119.9° |
| H2'1 | C2' | C1' | H1' | 144.5° | 1.1° |
| H2'2 | C2' | C1' | N1 | 84.5° | 2.8° |
| H2'2 | C2' | C1' | H1' | 35.0° | 123.8° |
| C1' | N1 | C2 | C6 | 175.8° | 180.0° |
| C1' | N1 | C2 | O2 | 5.9° | 0.0° |
| C1' | N1 | C2 | N3 | 174.8° | 180.0° |
| C1' | N1 | C6 | C5 | 174.8° | 180.0° |
| C1' | N1 | C6 | H6 | 5.1° | 0.0° |
| H1' | C1' | N1 | C2 | 27.2° | 179.3° |
| H1' | C1' | N1 | C6 | 157.1° | 0.6° |
| N1 | C2 | O2 | N3 | 179.4° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.3° |
| N1 | C2 | N3 | H3 | 179.6° | 180.0° |
| C2 | N1 | C6 | C5 | 0.7° | 0.0° |
| C2 | N1 | C6 | H6 | 179.4° | 180.0° |
| C6 | N1 | C2 | O2 | 178.4° | 180.0° |
| C6 | N1 | C2 | N3 | 1.0° | 0.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.2° |
| N1 | C6 | C5 | C5M | 177.0° | 180.0° |
| N1 | C6 | C5 | H6 | 179.9° | 180.0° |
| O2 | C2 | N3 | C4 | 179.0° | 179.8° |
| O2 | C2 | N3 | H3 | 1.0° | 0.1° |
| C2 | N3 | C4 | H3 | 179.9° | 179.7° |
| C2 | N3 | C4 | O4 | 176.9° | 180.0° |
| C2 | N3 | C4 | C5 | 0.6° | 0.5° |
| N3 | C4 | O4 | C5 | 177.2° | 179.5° |
| N3 | C4 | C5 | C5M | 176.5° | 179.8° |
| N3 | C4 | C5 | C6 | 0.9° | 0.5° |
| H3 | N3 | C4 | O4 | 3.0° | 0.3° |
| H3 | N3 | C4 | C5 | 179.5° | 179.8° |
| O4 | C4 | C5 | C5M | 6.3° | 0.3° |
| O4 | C4 | C5 | C6 | 176.3° | 180.0° |
| C4 | C5 | C5M | C6 | 177.3° | 179.7° |
| C4 | C5 | C5M | H51 | 179.9° | 0.3° |
| C4 | C5 | C5M | H52 | 54.8° | 119.7° |
| C4 | C5 | C5M | H53 | 54.7° | 120.3° |
| C4 | C5 | C6 | H6 | 179.6° | 179.8° |
| C5 | C5M | H51 | H52 | 125.2° | 120.0° |
| C5 | C5M | H51 | H53 | 125.4° | 120.0° |
| C5 | C5M | H52 | H53 | 114.3° | 120.1° |
| C5M | C5 | C6 | H6 | 3.0° | 0.0° |
| C6 | C5 | C5M | H51 | 2.7° | 180.0° |
| C6 | C5 | C5M | H52 | 127.9° | 60.1° |
| C6 | C5 | C5M | H53 | 122.6° | 60.0° |
| H51 | C5M | H52 | H53 | 114.3° | 120.0° |
