TNV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PA | O1A | doub | 1.48Å | 1.55Å | |
| PA | O2A | sing | 1.61Å | 1.55Å | |
| PA | O3A | sing | 1.61Å | 1.54Å | |
| PA | C9' | sing | 1.82Å | 1.78Å | |
| O2A | H2A | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.59Å | |
| PB | O1B | doub | 1.48Å | 1.57Å | |
| PB | O2B | sing | 1.61Å | 1.54Å | |
| PB | O3B | sing | 1.61Å | 1.58Å | |
| O2B | H2B | sing | 0.97Å | 0.95Å | |
| O3B | PG | sing | 1.61Å | 1.61Å | |
| PG | O1G | doub | 1.48Å | 1.47Å | |
| PG | O2G | sing | 1.61Å | 1.49Å | |
| PG | O3G | sing | 1.61Å | 1.57Å | |
| O2G | H2G | sing | 0.97Å | 0.95Å | |
| O3G | H3G | sing | 0.97Å | 0.95Å | |
| C9' | O9' | sing | 1.43Å | 1.37Å | |
| C9' | H9'1 | sing | 1.09Å | 1.12Å | |
| C9' | H9'2 | sing | 1.09Å | 1.12Å | |
| O9' | C7' | sing | 1.43Å | 1.44Å | |
| C8' | C7' | sing | 1.53Å | 1.55Å | |
| C8' | H8'1 | sing | 1.09Å | 1.11Å | |
| C8' | H8'2 | sing | 1.09Å | 1.11Å | |
| C8' | H8'3 | sing | 1.09Å | 1.11Å | |
| C7' | C6' | sing | 1.53Å | 1.60Å | |
| C7' | H7' | sing | 1.09Å | 1.12Å | |
| C6' | N9 | sing | 1.46Å | 1.44Å | |
| C6' | H6'1 | sing | 1.09Å | 1.12Å | |
| C6' | H6'2 | sing | 1.09Å | 1.12Å | |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N1 | C6 | doub | 1.33Å | 1.37Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | sing | 1.41Å | 1.45Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C5 | N7 | sing | 1.35Å | 1.40Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | PA | O2A | 110.1° | 109.5° |
| O1A | PA | O3A | 108.6° | 109.5° |
| O1A | PA | C9' | 108.3° | 109.5° |
| O2A | PA | O3A | 108.9° | 109.5° |
| O2A | PA | C9' | 108.1° | 109.5° |
| PA | O2A | H2A | 110.1° | 106.8° |
| O3A | PA | C9' | 112.8° | 109.4° |
| PA | O3A | PB | 120.1° | 106.8° |
| PA | C9' | O9' | 109.5° | 109.4° |
| PA | C9' | H9'1 | 112.2° | 109.5° |
| PA | C9' | H9'2 | 112.2° | 109.5° |
| O3A | PB | O1B | 109.3° | 109.4° |
| O3A | PB | O2B | 107.9° | 109.5° |
| O3A | PB | O3B | 110.9° | 109.5° |
| O1B | PB | O2B | 110.7° | 109.5° |
| O1B | PB | O3B | 108.5° | 109.5° |
| O2B | PB | O3B | 109.6° | 109.5° |
| PB | O2B | H2B | 107.9° | 106.8° |
| PB | O3B | PG | 122.0° | 106.8° |
| O3B | PG | O1G | 109.7° | 109.4° |
| O3B | PG | O2G | 109.1° | 109.5° |
| O3B | PG | O3G | 110.7° | 109.5° |
| O1G | PG | O2G | 108.6° | 109.4° |
| O1G | PG | O3G | 108.8° | 109.5° |
| O2G | PG | O3G | 109.8° | 109.5° |
| PG | O2G | H2G | 109.1° | 106.8° |
| PG | O3G | H3G | 110.7° | 106.8° |
| O9' | C9' | H9'1 | 112.2° | 109.5° |
| O9' | C9' | H9'2 | 112.2° | 109.4° |
| C9' | O9' | C7' | 116.6° | 106.8° |
| H9'1 | C9' | H9'2 | 98.2° | 109.5° |
| O9' | C7' | C8' | 107.8° | 109.5° |
| O9' | C7' | C6' | 114.4° | 109.4° |
| O9' | C7' | H7' | 108.5° | 109.5° |
| C7' | C8' | H8'1 | 107.7° | 109.4° |
| C7' | C8' | H8'2 | 112.8° | 109.4° |
| C7' | C8' | H8'3 | 112.8° | 109.4° |
| C8' | C7' | C6' | 112.9° | 109.5° |
| C8' | C7' | H7' | 110.3° | 109.5° |
| H8'1 | C8' | H8'2 | 112.9° | 109.5° |
| H8'1 | C8' | H8'3 | 112.9° | 109.5° |
| H8'2 | C8' | H8'3 | 97.6° | 109.5° |
| C6' | C7' | H7' | 102.9° | 109.5° |
| C7' | C6' | N9 | 113.7° | 109.5° |
| C7' | C6' | H6'1 | 110.6° | 109.5° |
| C7' | C6' | H6'2 | 110.7° | 109.5° |
| N9 | C6' | H6'1 | 110.7° | 109.5° |
| N9 | C6' | H6'2 | 110.7° | 109.5° |
| C6' | N9 | C4 | 129.1° | 126.4° |
| C6' | N9 | C8 | 124.8° | 126.3° |
| H6'1 | C6' | H6'2 | 99.6° | 109.4° |
| C4 | N9 | C8 | 106.1° | 107.4° |
| N9 | C4 | N3 | 126.3° | 134.8° |
| N9 | C4 | C5 | 105.9° | 106.1° |
| N9 | C8 | N7 | 113.9° | 110.0° |
| N9 | C8 | H8 | 124.8° | 125.0° |
| N3 | C4 | C5 | 127.7° | 119.1° |
| C4 | N3 | C2 | 111.0° | 120.6° |
| C4 | C5 | C6 | 116.1° | 118.2° |
| C4 | C5 | N7 | 110.2° | 107.1° |
| N3 | C2 | N1 | 128.5° | 122.5° |
| N3 | C2 | H2 | 115.0° | 118.7° |
| N1 | C2 | H2 | 116.5° | 118.8° |
| C2 | N1 | C6 | 119.1° | 121.2° |
| N1 | C6 | N6 | 117.4° | 120.8° |
| N1 | C6 | C5 | 117.6° | 118.5° |
| N6 | C6 | C5 | 125.0° | 120.7° |
| C6 | N6 | HN61 | 117.4° | 120.0° |
| C6 | N6 | HN62 | 109.3° | 120.0° |
| C6 | C5 | N7 | 133.7° | 134.7° |
| HN61 | N6 | HN62 | 109.3° | 120.0° |
| C5 | N7 | C8 | 103.9° | 109.4° |
| N7 | C8 | H8 | 121.3° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | PA | O2A | O3A | 119.0° | 120.0° |
| O1A | PA | O2A | C9' | 118.1° | 120.0° |
| O1A | PA | O3A | C9' | 120.0° | 120.0° |
| O1A | PA | O2A | H2A | 179.9° | 174.8° |
| O1A | PA | O3A | PB | 48.1° | 60.0° |
| O1A | PA | C9' | O9' | 117.6° | 65.7° |
| O1A | PA | C9' | H9'1 | 7.7° | 54.3° |
| O1A | PA | C9' | H9'2 | 117.2° | 174.4° |
| O2A | PA | O3A | C9' | 120.1° | 120.0° |
| O2A | PA | O3A | PB | 168.0° | 60.0° |
| O2A | PA | C9' | O9' | 123.2° | 54.3° |
| O2A | PA | C9' | H9'1 | 111.6° | 174.3° |
| O2A | PA | C9' | H9'2 | 2.1° | 65.6° |
| O3A | PA | O2A | H2A | 61.1° | 65.2° |
| PA | O3A | PB | O1B | 121.9° | 60.0° |
| PA | O3A | PB | O2B | 1.5° | 60.0° |
| PA | O3A | PB | O3B | 118.6° | 180.0° |
| O3A | PA | C9' | O9' | 2.6° | 174.3° |
| O3A | PA | C9' | H9'1 | 127.9° | 65.7° |
| O3A | PA | C9' | H9'2 | 122.7° | 54.4° |
| C9' | PA | O2A | H2A | 61.8° | 54.8° |
| C9' | PA | O3A | PB | 71.9° | 180.0° |
| PA | C9' | O9' | H9'1 | 125.3° | 120.0° |
| PA | C9' | O9' | H9'2 | 125.3° | 120.0° |
| PA | C9' | H9'1 | H9'2 | 118.1° | 120.0° |
| PA | C9' | O9' | C7' | 110.6° | 77.5° |
| O3A | PB | O1B | O2B | 118.7° | 120.0° |
| O3A | PB | O1B | O3B | 121.1° | 120.0° |
| O3A | PB | O2B | O3B | 120.9° | 120.0° |
| O3A | PB | O2B | H2B | 180.0° | 60.0° |
| O3A | PB | O3B | PG | 61.4° | 180.0° |
| O1B | PB | O2B | O3B | 119.6° | 120.0° |
| O1B | PB | O2B | H2B | 60.5° | 180.0° |
| O1B | PB | O3B | PG | 178.6° | 60.1° |
| O2B | PB | O3B | PG | 57.6° | 60.0° |
| O3B | PB | O2B | H2B | 59.1° | 60.0° |
| PB | O3B | PG | O1G | 60.6° | 60.1° |
| PB | O3B | PG | O2G | 179.5° | 180.0° |
| PB | O3B | PG | O3G | 59.5° | 60.0° |
| O3B | PG | O1G | O2G | 119.2° | 120.0° |
| O3B | PG | O1G | O3G | 121.3° | 120.0° |
| O3B | PG | O2G | O3G | 121.6° | 120.1° |
| O3B | PG | O2G | H2G | 180.0° | 180.0° |
| O3B | PG | O3G | H3G | 179.9° | 60.0° |
| O1G | PG | O2G | O3G | 118.9° | 120.0° |
| O1G | PG | O2G | H2G | 60.4° | 60.0° |
| O1G | PG | O3G | H3G | 59.3° | 180.0° |
| O2G | PG | O3G | H3G | 59.5° | 60.0° |
| O3G | PG | O2G | H2G | 58.5° | 60.0° |
| O9' | C9' | H9'1 | H9'2 | 118.1° | 120.0° |
| C9' | O9' | C7' | C8' | 102.8° | 87.3° |
| C9' | O9' | C7' | C6' | 23.7° | 152.7° |
| C9' | O9' | C7' | H7' | 137.9° | 32.7° |
| H9'1 | C9' | O9' | C7' | 124.1° | 42.5° |
| H9'2 | C9' | O9' | C7' | 14.7° | 162.6° |
| O9' | C7' | C8' | C6' | 127.3° | 120.0° |
| O9' | C7' | C8' | H7' | 118.2° | 120.0° |
| O9' | C7' | C8' | H8'1 | 180.0° | 55.8° |
| O9' | C7' | C8' | H8'2 | 54.7° | 64.3° |
| O9' | C7' | C8' | H8'3 | 54.8° | 175.8° |
| O9' | C7' | C6' | H7' | 117.5° | 120.0° |
| O9' | C7' | C6' | N9 | 123.4° | 60.0° |
| O9' | C7' | C6' | H6'1 | 111.3° | 60.1° |
| O9' | C7' | C6' | H6'2 | 1.9° | 180.0° |
| C7' | C8' | H8'1 | H8'2 | 125.2° | 119.9° |
| C7' | C8' | H8'1 | H8'3 | 125.2° | 120.0° |
| C7' | C8' | H8'2 | H8'3 | 118.7° | 119.9° |
| C8' | C7' | C6' | H7' | 118.8° | 120.0° |
| C8' | C7' | C6' | N9 | 0.3° | 180.0° |
| C8' | C7' | C6' | H6'1 | 125.0° | 60.0° |
| C8' | C7' | C6' | H6'2 | 125.6° | 60.0° |
| H8'1 | C8' | H8'2 | H8'3 | 118.9° | 120.1° |
| H8'1 | C8' | C7' | C6' | 52.6° | 64.2° |
| H8'1 | C8' | C7' | H7' | 61.8° | 175.8° |
| H8'2 | C8' | C7' | C6' | 72.6° | 175.8° |
| H8'2 | C8' | C7' | H7' | 173.0° | 55.8° |
| H8'3 | C8' | C7' | C6' | 177.9° | 55.8° |
| H8'3 | C8' | C7' | H7' | 63.5° | 64.2° |
| C7' | C6' | N9 | H6'1 | 125.3° | 120.1° |
| C7' | C6' | N9 | H6'2 | 125.3° | 120.0° |
| C7' | C6' | H6'1 | H6'2 | 116.5° | 120.0° |
| C7' | C6' | N9 | C4 | 77.8° | 90.3° |
| C7' | C6' | N9 | C8 | 102.1° | 90.0° |
| H7' | C7' | C6' | N9 | 119.1° | 60.0° |
| H7' | C7' | C6' | H6'1 | 6.2° | 179.9° |
| H7' | C7' | C6' | H6'2 | 115.6° | 60.0° |
| N9 | C6' | H6'1 | H6'2 | 116.5° | 120.0° |
| C6' | N9 | C4 | C8 | 179.9° | 179.8° |
| C6' | N9 | C4 | N3 | 0.2° | 0.7° |
| C6' | N9 | C4 | C5 | 179.3° | 179.9° |
| C6' | N9 | C8 | N7 | 179.5° | 180.0° |
| C6' | N9 | C8 | H8 | 0.5° | 0.0° |
| H6'1 | C6' | N9 | C4 | 47.5° | 149.7° |
| H6'1 | C6' | N9 | C8 | 132.6° | 30.0° |
| H6'2 | C6' | N9 | C4 | 156.9° | 29.8° |
| H6'2 | C6' | N9 | C8 | 23.2° | 150.0° |
| N9 | C4 | N3 | C5 | 179.4° | 179.1° |
| N9 | C4 | N3 | C2 | 179.3° | 179.6° |
| N9 | C4 | C5 | C6 | 179.1° | 179.9° |
| N9 | C4 | C5 | N7 | 0.6° | 0.3° |
| C4 | N9 | C8 | N7 | 0.4° | 0.2° |
| C4 | N9 | C8 | H8 | 179.5° | 179.8° |
| C8 | N9 | C4 | N3 | 179.9° | 179.5° |
| C8 | N9 | C4 | C5 | 0.6° | 0.4° |
| N9 | C8 | N7 | C5 | 0.0° | 0.0° |
| N9 | C8 | N7 | H8 | 179.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.3° | 0.3° |
| C4 | N3 | C2 | H2 | 179.7° | 179.8° |
| N3 | C4 | C5 | C6 | 0.4° | 0.5° |
| N3 | C4 | C5 | N7 | 179.9° | 179.7° |
| C5 | C4 | N3 | C2 | 0.1° | 0.5° |
| C4 | C5 | C6 | N1 | 0.4° | 0.3° |
| C4 | C5 | C6 | N6 | 179.4° | 179.7° |
| C4 | C5 | C6 | N7 | 179.6° | 179.7° |
| C4 | C5 | N7 | C8 | 0.4° | 0.2° |
| N3 | C2 | N1 | H2 | 179.9° | 179.9° |
| N3 | C2 | N1 | C6 | 0.4° | 0.0° |
| C2 | N1 | C6 | N6 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.1° |
| H2 | C2 | N1 | C6 | 179.6° | 180.0° |
| N1 | C6 | N6 | C5 | 179.7° | 180.0° |
| N1 | C6 | N6 | HN61 | 179.9° | 0.0° |
| N1 | C6 | N6 | HN62 | 54.8° | 180.0° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| C6 | N6 | HN61 | HN62 | 125.2° | 180.0° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| C5 | C6 | N6 | HN61 | 0.3° | 180.0° |
| C5 | C6 | N6 | HN62 | 125.5° | 0.0° |
| C6 | C5 | N7 | C8 | 179.2° | 180.0° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
