THV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2B | PB | sing | 1.61Å | 1.57Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| PB | O3B | sing | 1.61Å | 1.57Å | |
| PB | O1B | doub | 1.48Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.58Å | |
| O3B | H3B | sing | 0.97Å | 0.95Å | |
| O3A | PA | sing | 1.61Å | 1.70Å | |
| PA | O1A | sing | 1.61Å | 1.46Å | |
| PA | O2A | doub | 1.48Å | 1.44Å | |
| PA | O5G | sing | 1.61Å | 1.57Å | |
| O1A | H1A | sing | 0.97Å | 0.95Å | |
| O5G | C5B | sing | 1.43Å | 1.42Å | |
| C5B | C5A | sing | 1.53Å | 1.53Å | |
| C5B | H5B1 | sing | 1.09Å | 1.10Å | |
| C5B | H5B2 | sing | 1.09Å | 1.10Å | |
| C5A | C5 | sing | 1.51Å | 1.52Å | |
| C5A | H5A1 | sing | 1.09Å | 1.10Å | |
| C5A | H5A2 | sing | 1.09Å | 1.10Å | |
| C5 | C4 | doub | 1.33Å | 1.41Å | Aromatic |
| C5 | S1 | sing | 1.79Å | 1.73Å | Aromatic |
| C4 | C4A | sing | 1.51Å | 1.57Å | |
| C4 | N3 | sing | 1.37Å | 1.39Å | Aromatic |
| C4A | H4A1 | sing | 1.09Å | 1.10Å | |
| C4A | H4A2 | sing | 1.09Å | 1.10Å | |
| C4A | H4A3 | sing | 1.09Å | 1.10Å | |
| S1 | C2 | sing | 1.79Å | 1.72Å | Aromatic |
| C2 | C8 | sing | 1.34Å | 1.54Å | |
| C2 | N3 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | O9 | sing | 1.36Å | 1.26Å | |
| C8 | C9 | sing | 1.51Å | 1.57Å | |
| O9 | H9 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | HA | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| N3 | C35 | sing | 1.46Å | 1.49Å | |
| C35 | C5' | sing | 1.51Å | 1.58Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C5' | C6' | doub | 1.38Å | 1.43Å | Aromatic |
| C5' | C4' | sing | 1.40Å | 1.43Å | Aromatic |
| C6' | N1' | sing | 1.33Å | 1.33Å | Aromatic |
| C6' | H6' | sing | 1.08Å | 1.08Å | |
| N1' | C2' | doub | 1.32Å | 1.36Å | Aromatic |
| C2' | C2A | sing | 1.51Å | 1.55Å | |
| C2' | N3' | sing | 1.32Å | 1.39Å | Aromatic |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| N3' | C4' | doub | 1.33Å | 1.41Å | Aromatic |
| C4' | N4' | sing | 1.39Å | 1.34Å | |
| N4' | H4'1 | sing | 0.97Å | 1.00Å | |
| N4' | H4'2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PB | O2B | H2B | 109.5° | 106.7° |
| O2B | PB | O3B | 108.3° | 109.5° |
| O2B | PB | O1B | 114.7° | 109.5° |
| O2B | PB | O3A | 107.8° | 109.4° |
| O3B | PB | O1B | 110.0° | 109.5° |
| O3B | PB | O3A | 107.4° | 109.5° |
| PB | O3B | H3B | 109.5° | 106.8° |
| O1B | PB | O3A | 108.4° | 109.5° |
| PB | O3A | PA | 130.7° | 106.8° |
| O3A | PA | O1A | 104.7° | 109.5° |
| O3A | PA | O2A | 105.8° | 109.5° |
| O3A | PA | O5G | 101.5° | 109.5° |
| O1A | PA | O2A | 120.5° | 109.5° |
| O1A | PA | O5G | 109.9° | 109.5° |
| PA | O1A | H1A | 109.5° | 106.8° |
| O2A | PA | O5G | 112.1° | 109.4° |
| PA | O5G | C5B | 119.2° | 106.8° |
| O5G | C5B | C5A | 103.8° | 109.5° |
| O5G | C5B | H5B1 | 112.6° | 109.5° |
| O5G | C5B | H5B2 | 111.4° | 109.5° |
| C5A | C5B | H5B1 | 112.6° | 109.5° |
| C5A | C5B | H5B2 | 111.4° | 109.4° |
| C5B | C5A | C5 | 112.2° | 109.5° |
| C5B | C5A | H5A1 | 108.0° | 109.5° |
| C5B | C5A | H5A2 | 108.6° | 109.4° |
| H5B1 | C5B | H5B2 | 105.2° | 109.5° |
| C5 | C5A | H5A1 | 108.0° | 109.5° |
| C5 | C5A | H5A2 | 108.6° | 109.5° |
| C5A | C5 | C4 | 132.5° | 128.8° |
| C5A | C5 | S1 | 120.8° | 128.8° |
| H5A1 | C5A | H5A2 | 111.6° | 109.4° |
| C4 | C5 | S1 | 106.7° | 102.4° |
| C5 | C4 | C4A | 123.7° | 119.8° |
| C5 | C4 | N3 | 113.7° | 120.4° |
| C5 | S1 | C2 | 96.6° | 98.0° |
| C4A | C4 | N3 | 122.6° | 119.8° |
| C4 | C4A | H4A1 | 109.4° | 109.5° |
| C4 | C4A | H4A2 | 109.5° | 109.5° |
| C4 | C4A | H4A3 | 109.5° | 109.5° |
| C4 | N3 | C2 | 116.4° | 118.0° |
| C4 | N3 | C35 | 122.5° | 121.0° |
| H4A1 | C4A | H4A2 | 109.5° | 109.4° |
| H4A1 | C4A | H4A3 | 109.4° | 109.5° |
| H4A2 | C4A | H4A3 | 109.5° | 109.5° |
| S1 | C2 | C8 | 126.2° | 129.4° |
| S1 | C2 | N3 | 106.6° | 101.3° |
| C8 | C2 | N3 | 127.2° | 129.4° |
| C2 | C8 | O9 | 119.9° | 120.0° |
| C2 | C8 | C9 | 118.2° | 120.0° |
| C2 | N3 | C35 | 121.0° | 121.0° |
| O9 | C8 | C9 | 121.9° | 120.0° |
| C8 | O9 | H9 | 109.5° | 106.8° |
| C8 | C9 | C10 | 111.1° | 109.5° |
| C8 | C9 | C11 | 113.5° | 109.4° |
| C8 | C9 | HA | 105.8° | 109.4° |
| C10 | C9 | C11 | 110.4° | 109.5° |
| C10 | C9 | HA | 109.2° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.4° |
| C9 | C10 | H103 | 109.5° | 109.4° |
| C11 | C9 | HA | 106.6° | 109.5° |
| C9 | C11 | H111 | 109.5° | 109.5° |
| C9 | C11 | H112 | 109.5° | 109.5° |
| C9 | C11 | H113 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| N3 | C35 | C5' | 109.0° | 109.5° |
| N3 | C35 | H351 | 109.7° | 109.5° |
| N3 | C35 | H352 | 109.6° | 109.5° |
| C5' | C35 | H351 | 109.7° | 109.5° |
| C5' | C35 | H352 | 109.6° | 109.5° |
| C35 | C5' | C6' | 119.3° | 120.8° |
| C35 | C5' | C4' | 125.9° | 120.8° |
| H351 | C35 | H352 | 109.1° | 109.5° |
| C6' | C5' | C4' | 114.7° | 118.4° |
| C5' | C6' | N1' | 124.3° | 119.2° |
| C5' | C6' | H6' | 117.9° | 120.5° |
| C5' | C4' | N3' | 119.3° | 118.9° |
| C5' | C4' | N4' | 124.9° | 120.5° |
| N1' | C6' | H6' | 117.9° | 120.4° |
| C6' | N1' | C2' | 121.7° | 121.0° |
| N1' | C2' | C2A | 125.2° | 119.0° |
| N1' | C2' | N3' | 118.1° | 121.8° |
| C2A | C2' | N3' | 116.7° | 119.1° |
| C2' | C2A | H2A1 | 109.4° | 109.5° |
| C2' | C2A | H2A2 | 109.5° | 109.5° |
| C2' | C2A | H2A3 | 109.5° | 109.5° |
| C2' | N3' | C4' | 121.8° | 120.7° |
| H2A1 | C2A | H2A2 | 109.5° | 109.5° |
| H2A1 | C2A | H2A3 | 109.5° | 109.5° |
| H2A2 | C2A | H2A3 | 109.4° | 109.5° |
| N3' | C4' | N4' | 115.5° | 120.5° |
| C4' | N4' | H4'1 | 109.5° | 120.0° |
| C4' | N4' | H4'2 | 109.5° | 120.0° |
| H4'1 | N4' | H4'2 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2B | PB | O3B | O1B | 126.0° | 120.0° |
| O2B | PB | O3B | O3A | 116.2° | 120.0° |
| O2B | PB | O1B | O3A | 120.5° | 120.0° |
| O2B | PB | O3B | H3B | 66.2° | 60.0° |
| O2B | PB | O3A | PA | 94.8° | 165.0° |
| H2B | O2B | PB | O3B | 51.7° | 60.0° |
| H2B | O2B | PB | O1B | 71.5° | 60.0° |
| H2B | O2B | PB | O3A | 167.6° | 180.0° |
| O3B | PB | O1B | O3A | 117.2° | 120.1° |
| O3B | PB | O3A | PA | 21.8° | 75.0° |
| O1B | PB | O3B | H3B | 59.8° | 180.0° |
| O1B | PB | O3A | PA | 140.6° | 45.0° |
| O3A | PB | O3B | H3B | 177.6° | 60.0° |
| PB | O3A | PA | O1A | 177.0° | 75.0° |
| PB | O3A | PA | O2A | 48.7° | 45.0° |
| PB | O3A | PA | O5G | 68.5° | 165.0° |
| O3A | PA | O1A | O2A | 118.8° | 120.0° |
| O3A | PA | O1A | O5G | 108.4° | 120.0° |
| O3A | PA | O2A | O5G | 109.8° | 120.0° |
| O3A | PA | O1A | H1A | 168.4° | 60.0° |
| O3A | PA | O5G | C5B | 77.9° | 175.0° |
| O1A | PA | O2A | O5G | 131.9° | 120.0° |
| O1A | PA | O5G | C5B | 32.6° | 65.0° |
| O2A | PA | O1A | H1A | 72.8° | 180.0° |
| O2A | PA | O5G | C5B | 169.5° | 55.0° |
| O5G | PA | O1A | H1A | 60.0° | 60.1° |
| PA | O5G | C5B | C5A | 161.7° | 180.0° |
| PA | O5G | C5B | H5B1 | 76.2° | 60.1° |
| PA | O5G | C5B | H5B2 | 41.8° | 60.0° |
| O5G | C5B | C5A | H5B1 | 122.1° | 120.0° |
| O5G | C5B | C5A | H5B2 | 120.0° | 120.0° |
| O5G | C5B | H5B1 | H5B2 | 121.5° | 120.1° |
| O5G | C5B | C5A | C5 | 175.3° | 180.0° |
| O5G | C5B | C5A | H5A1 | 56.5° | 60.0° |
| O5G | C5B | C5A | H5A2 | 64.7° | 60.0° |
| C5A | C5B | H5B1 | H5B2 | 121.5° | 120.0° |
| C5B | C5A | C5 | H5A1 | 118.9° | 120.0° |
| C5B | C5A | C5 | H5A2 | 120.0° | 120.0° |
| C5B | C5A | H5A1 | H5A2 | 119.3° | 119.9° |
| C5B | C5A | C5 | C4 | 102.9° | 90.0° |
| C5B | C5A | C5 | S1 | 80.6° | 90.0° |
| H5B1 | C5B | C5A | C5 | 62.6° | 60.0° |
| H5B1 | C5B | C5A | H5A1 | 178.6° | 179.9° |
| H5B1 | C5B | C5A | H5A2 | 57.4° | 60.0° |
| H5B2 | C5B | C5A | C5 | 55.4° | 60.0° |
| H5B2 | C5B | C5A | H5A1 | 63.5° | 60.0° |
| H5B2 | C5B | C5A | H5A2 | 175.3° | 180.0° |
| C5 | C5A | H5A1 | H5A2 | 119.2° | 120.0° |
| C5A | C5 | C4 | S1 | 176.8° | 180.0° |
| C5A | C5 | C4 | C4A | 2.1° | 0.1° |
| C5A | C5 | C4 | N3 | 176.8° | 179.7° |
| C5A | C5 | S1 | C2 | 176.8° | 180.0° |
| H5A1 | C5A | C5 | C4 | 138.2° | 149.9° |
| H5A1 | C5A | C5 | S1 | 38.2° | 30.0° |
| H5A2 | C5A | C5 | C4 | 17.1° | 30.0° |
| H5A2 | C5A | C5 | S1 | 159.4° | 150.0° |
| C5 | C4 | C4A | N3 | 178.7° | 179.8° |
| C5 | C4 | C4A | H4A1 | 37.5° | 90.1° |
| C5 | C4 | C4A | H4A2 | 157.6° | 150.0° |
| C5 | C4 | C4A | H4A3 | 82.4° | 30.0° |
| C4 | C5 | S1 | C2 | 0.5° | 0.0° |
| C5 | C4 | N3 | C2 | 0.6° | 0.5° |
| C5 | C4 | N3 | C35 | 175.6° | 180.0° |
| S1 | C5 | C4 | C4A | 178.9° | 180.0° |
| S1 | C5 | C4 | N3 | 0.0° | 0.3° |
| C5 | S1 | C2 | C8 | 179.3° | 180.0° |
| C5 | S1 | C2 | N3 | 0.8° | 0.2° |
| C4 | C4A | H4A1 | H4A2 | 120.0° | 119.9° |
| C4 | C4A | H4A1 | H4A3 | 120.0° | 120.0° |
| C4 | C4A | H4A2 | H4A3 | 120.0° | 120.1° |
| C4A | C4 | N3 | C2 | 178.2° | 179.7° |
| C4A | C4 | N3 | C35 | 5.5° | 0.2° |
| N3 | C4 | C4A | H4A1 | 143.7° | 89.7° |
| N3 | C4 | C4A | H4A2 | 23.7° | 30.2° |
| N3 | C4 | C4A | H4A3 | 96.3° | 150.3° |
| C4 | N3 | C2 | S1 | 0.9° | 0.4° |
| C4 | N3 | C2 | C8 | 179.4° | 179.8° |
| C4 | N3 | C2 | C35 | 176.3° | 179.5° |
| C4 | N3 | C35 | C5' | 77.5° | 83.4° |
| C4 | N3 | C35 | H351 | 162.3° | 156.6° |
| C4 | N3 | C35 | H352 | 42.5° | 36.6° |
| H4A1 | C4A | H4A2 | H4A3 | 120.0° | 120.0° |
| S1 | C2 | C8 | N3 | 178.2° | 179.7° |
| S1 | C2 | C8 | O9 | 179.1° | 133.0° |
| S1 | C2 | C8 | C9 | 1.4° | 47.0° |
| S1 | C2 | N3 | C35 | 175.4° | 179.9° |
| C2 | C8 | O9 | C9 | 179.5° | 180.0° |
| C2 | C8 | O9 | H9 | 116.8° | 4.8° |
| C2 | C8 | C9 | C10 | 100.9° | 60.0° |
| C2 | C8 | C9 | C11 | 134.1° | 180.0° |
| C2 | C8 | C9 | HA | 17.5° | 60.0° |
| C8 | C2 | N3 | C35 | 3.1° | 0.3° |
| N3 | C2 | C8 | O9 | 0.9° | 47.3° |
| N3 | C2 | C8 | C9 | 179.6° | 132.7° |
| C2 | N3 | C35 | C5' | 98.6° | 97.1° |
| C2 | N3 | C35 | H351 | 21.6° | 22.9° |
| C2 | N3 | C35 | H352 | 141.4° | 142.8° |
| O9 | C8 | C9 | C10 | 79.7° | 120.0° |
| O9 | C8 | C9 | C11 | 45.4° | 0.0° |
| O9 | C8 | C9 | HA | 162.0° | 120.0° |
| C9 | C8 | O9 | H9 | 62.6° | 175.2° |
| C8 | C9 | C10 | C11 | 126.8° | 119.9° |
| C8 | C9 | C10 | HA | 116.3° | 120.0° |
| C8 | C9 | C11 | HA | 116.0° | 119.9° |
| C8 | C9 | C10 | H101 | 125.8° | 60.0° |
| C8 | C9 | C10 | H102 | 114.3° | 180.0° |
| C8 | C9 | C10 | H103 | 5.7° | 60.0° |
| C8 | C9 | C11 | H111 | 6.7° | 60.0° |
| C8 | C9 | C11 | H112 | 126.7° | 60.1° |
| C8 | C9 | C11 | H113 | 113.3° | 180.0° |
| C10 | C9 | C11 | HA | 118.5° | 120.1° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 119.9° |
| C10 | C9 | C11 | H111 | 118.7° | 60.0° |
| C10 | C9 | C11 | H112 | 1.2° | 180.0° |
| C10 | C9 | C11 | H113 | 121.3° | 60.1° |
| C11 | C9 | C10 | H101 | 107.5° | 60.0° |
| C11 | C9 | C10 | H102 | 12.5° | 60.1° |
| C11 | C9 | C10 | H103 | 132.5° | 180.0° |
| C9 | C11 | H111 | H112 | 120.0° | 120.0° |
| C9 | C11 | H111 | H113 | 120.0° | 120.0° |
| C9 | C11 | H112 | H113 | 120.0° | 119.9° |
| HA | C9 | C10 | H101 | 9.5° | 180.0° |
| HA | C9 | C10 | H102 | 129.4° | 60.0° |
| HA | C9 | C10 | H103 | 110.6° | 59.9° |
| HA | C9 | C11 | H111 | 122.8° | 179.9° |
| HA | C9 | C11 | H112 | 117.2° | 59.9° |
| HA | C9 | C11 | H113 | 2.8° | 60.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.1° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| N3 | C35 | C5' | H351 | 120.2° | 120.0° |
| N3 | C35 | C5' | H352 | 120.0° | 120.0° |
| N3 | C35 | H351 | H352 | 120.1° | 120.0° |
| N3 | C35 | C5' | C6' | 115.8° | 90.2° |
| N3 | C35 | C5' | C4' | 66.8° | 89.5° |
| C5' | C35 | H351 | H352 | 120.1° | 120.0° |
| C35 | C5' | C6' | C4' | 177.7° | 179.7° |
| C35 | C5' | C6' | N1' | 178.3° | 180.0° |
| C35 | C5' | C6' | H6' | 1.7° | 0.0° |
| C35 | C5' | C4' | N3' | 179.4° | 179.7° |
| C35 | C5' | C4' | N4' | 6.0° | 0.3° |
| H351 | C35 | C5' | C6' | 124.0° | 149.8° |
| H351 | C35 | C5' | C4' | 53.4° | 30.5° |
| H352 | C35 | C5' | C6' | 4.2° | 29.8° |
| H352 | C35 | C5' | C4' | 173.2° | 150.5° |
| C5' | C6' | N1' | H6' | 180.0° | 179.9° |
| C5' | C6' | N1' | C2' | 1.5° | 0.0° |
| C6' | C5' | C4' | N3' | 3.2° | 0.5° |
| C6' | C5' | C4' | N4' | 176.5° | 180.0° |
| C4' | C5' | C6' | N1' | 0.7° | 0.3° |
| C4' | C5' | C6' | H6' | 179.3° | 179.8° |
| C5' | C4' | N3' | C2' | 3.7° | 0.5° |
| C5' | C4' | N3' | N4' | 173.9° | 179.5° |
| C5' | C4' | N4' | H4'1 | 67.0° | 163.4° |
| C5' | C4' | N4' | H4'2 | 173.0° | 16.5° |
| C6' | N1' | C2' | C2A | 178.9° | 180.0° |
| C6' | N1' | C2' | N3' | 1.0° | 0.0° |
| H6' | C6' | N1' | C2' | 178.5° | 179.9° |
| N1' | C2' | C2A | N3' | 179.9° | 179.9° |
| N1' | C2' | C2A | H2A1 | 113.5° | 90.0° |
| N1' | C2' | C2A | H2A2 | 126.5° | 150.0° |
| N1' | C2' | C2A | H2A3 | 6.5° | 30.0° |
| N1' | C2' | N3' | C4' | 1.6° | 0.2° |
| C2' | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2' | C2A | H2A1 | H2A3 | 120.0° | 120.0° |
| C2' | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| C2A | C2' | N3' | C4' | 178.5° | 179.7° |
| N3' | C2' | C2A | H2A1 | 66.4° | 90.0° |
| N3' | C2' | C2A | H2A2 | 53.6° | 30.1° |
| N3' | C2' | C2A | H2A3 | 173.6° | 150.1° |
| C2' | N3' | C4' | N4' | 177.7° | 180.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| N3' | C4' | N4' | H4'1 | 119.4° | 17.1° |
| N3' | C4' | N4' | H4'2 | 0.5° | 163.0° |
| C4' | N4' | H4'1 | H4'2 | 120.0° | 179.9° |
