TNM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9' | PA | sing | 1.82Å | 1.79Å | |
| O2A | PA | doub | 1.48Å | 1.49Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| PA | O1A | sing | 1.61Å | 1.49Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| O3A | PB | sing | 1.61Å | 1.61Å | |
| PB | O2B | doub | 1.48Å | 1.49Å | |
| PB | O3B | sing | 1.61Å | 1.49Å | |
| PB | O1B | sing | 1.61Å | 1.49Å | |
| O1B | HO1B | sing | 0.97Å | 0.95Å | |
| O3B | HO3B | sing | 0.97Å | 0.95Å | |
| O9' | C9' | sing | 1.43Å | 1.37Å | |
| C9' | H9' | sing | 1.09Å | 1.10Å | |
| C9' | H9'A | sing | 1.09Å | 1.10Å | |
| O9' | C7' | sing | 1.43Å | 1.44Å | |
| C8' | C7' | sing | 1.53Å | 1.55Å | |
| C8' | H8' | sing | 1.09Å | 1.10Å | |
| C8' | H8'A | sing | 1.09Å | 1.10Å | |
| C8' | H8'B | sing | 1.09Å | 1.10Å | |
| C6' | C7' | sing | 1.53Å | 1.61Å | |
| C7' | H7' | sing | 1.09Å | 1.10Å | |
| N9 | C6' | sing | 1.47Å | 1.46Å | |
| C6' | H6' | sing | 1.09Å | 1.10Å | |
| C6' | H6'A | sing | 1.09Å | 1.10Å | |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.39Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | N1 | doub | 1.33Å | 1.39Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C5 | N7 | sing | 1.35Å | 1.40Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9' | PA | O2A | 106.9° | 109.4° |
| C9' | PA | O3A | 111.1° | 109.4° |
| C9' | PA | O1A | 106.2° | 109.5° |
| PA | C9' | O9' | 110.0° | 109.4° |
| PA | C9' | H9' | 109.3° | 109.5° |
| PA | C9' | H9'A | 109.2° | 109.5° |
| O2A | PA | O3A | 107.6° | 109.5° |
| O2A | PA | O1A | 116.6° | 109.5° |
| O3A | PA | O1A | 108.5° | 109.5° |
| PA | O3A | PB | 122.8° | 134.0° |
| PA | O1A | HO1A | 109.5° | 114.0° |
| O3A | PB | O2B | 103.0° | 109.5° |
| O3A | PB | O3B | 101.8° | 109.5° |
| O3A | PB | O1B | 102.5° | 109.4° |
| O2B | PB | O3B | 115.5° | 109.5° |
| O2B | PB | O1B | 115.6° | 109.4° |
| O3B | PB | O1B | 115.4° | 109.5° |
| PB | O3B | HO3B | 109.5° | 114.0° |
| PB | O1B | HO1B | 109.5° | 114.0° |
| O9' | C9' | H9' | 109.3° | 109.4° |
| O9' | C9' | H9'A | 109.2° | 109.5° |
| C9' | O9' | C7' | 121.5° | 114.0° |
| H9' | C9' | H9'A | 109.8° | 109.5° |
| O9' | C7' | C8' | 111.8° | 109.5° |
| O9' | C7' | C6' | 102.3° | 109.4° |
| O9' | C7' | H7' | 114.0° | 109.5° |
| C7' | C8' | H8' | 109.5° | 109.4° |
| C7' | C8' | H8'A | 109.4° | 109.5° |
| C7' | C8' | H8'B | 109.5° | 109.4° |
| C8' | C7' | C6' | 113.3° | 109.5° |
| C8' | C7' | H7' | 103.3° | 109.4° |
| H8' | C8' | H8'A | 109.5° | 109.5° |
| H8' | C8' | H8'B | 109.4° | 109.4° |
| H8'A | C8' | H8'B | 109.5° | 109.5° |
| C6' | C7' | H7' | 112.5° | 109.5° |
| C7' | C6' | N9 | 115.2° | 109.5° |
| C7' | C6' | H6' | 107.6° | 109.5° |
| C7' | C6' | H6'A | 106.3° | 109.5° |
| N9 | C6' | H6' | 107.6° | 109.5° |
| N9 | C6' | H6'A | 106.2° | 109.5° |
| C6' | N9 | C4 | 129.0° | 126.2° |
| C6' | N9 | C8 | 124.6° | 126.3° |
| H6' | C6' | H6'A | 114.1° | 109.4° |
| C4 | N9 | C8 | 105.9° | 107.5° |
| N9 | C4 | C5 | 105.6° | 106.0° |
| N9 | C4 | N3 | 126.6° | 135.0° |
| N9 | C8 | N7 | 114.2° | 110.0° |
| N9 | C8 | H8 | 122.9° | 125.0° |
| C5 | C4 | N3 | 127.8° | 119.0° |
| C4 | C5 | C6 | 115.3° | 118.2° |
| C4 | C5 | N7 | 110.4° | 107.2° |
| C4 | N3 | C2 | 111.8° | 120.7° |
| N3 | C2 | N1 | 127.2° | 122.5° |
| N3 | C2 | H2 | 116.4° | 118.8° |
| N1 | C2 | H2 | 116.4° | 118.8° |
| C2 | N1 | C6 | 119.6° | 121.2° |
| N1 | C6 | N6 | 117.2° | 120.8° |
| N1 | C6 | C5 | 118.2° | 118.5° |
| N6 | C6 | C5 | 124.5° | 120.8° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.4° | 120.0° |
| C6 | C5 | N7 | 134.4° | 134.7° |
| HN6 | N6 | HN6A | 109.4° | 120.0° |
| C5 | N7 | C8 | 103.9° | 109.4° |
| N7 | C8 | H8 | 122.9° | 125.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9' | PA | O2A | O3A | 119.4° | 120.0° |
| C9' | PA | O2A | O1A | 118.6° | 120.0° |
| C9' | PA | O3A | O1A | 116.4° | 120.0° |
| C9' | PA | O1A | HO1A | 33.3° | 60.0° |
| C9' | PA | O3A | PB | 109.0° | 179.9° |
| PA | C9' | O9' | H9' | 120.0° | 119.9° |
| PA | C9' | O9' | H9'A | 119.8° | 120.1° |
| PA | C9' | H9' | H9'A | 119.8° | 120.0° |
| PA | C9' | O9' | C7' | 104.3° | 76.4° |
| O2A | PA | O3A | O1A | 126.9° | 120.1° |
| O2A | PA | O1A | HO1A | 85.6° | 180.0° |
| O2A | PA | O3A | PB | 134.4° | 60.0° |
| O2A | PA | C9' | O9' | 55.4° | 65.5° |
| O2A | PA | C9' | H9' | 64.6° | 174.6° |
| O2A | PA | C9' | H9'A | 175.2° | 54.6° |
| O3A | PA | O1A | HO1A | 152.7° | 59.9° |
| PA | O3A | PB | O2B | 43.1° | 44.9° |
| PA | O3A | PB | O3B | 163.1° | 165.0° |
| PA | O3A | PB | O1B | 77.2° | 75.1° |
| O3A | PA | C9' | O9' | 61.7° | 174.6° |
| O3A | PA | C9' | H9' | 178.3° | 54.6° |
| O3A | PA | C9' | H9'A | 58.1° | 65.4° |
| O1A | PA | O3A | PB | 7.4° | 60.1° |
| O1A | PA | C9' | O9' | 179.5° | 54.6° |
| O1A | PA | C9' | H9' | 60.5° | 65.4° |
| O1A | PA | C9' | H9'A | 59.7° | 174.7° |
| O3A | PB | O2B | O3B | 110.0° | 120.1° |
| O3A | PB | O2B | O1B | 110.9° | 120.0° |
| O3A | PB | O3B | O1B | 110.2° | 120.0° |
| O3A | PB | O1B | HO1B | 170.5° | 60.0° |
| O3A | PB | O3B | HO3B | 21.3° | 180.0° |
| O2B | PB | O3B | O1B | 139.1° | 120.0° |
| O2B | PB | O1B | HO1B | 78.3° | 180.0° |
| O2B | PB | O3B | HO3B | 89.5° | 59.9° |
| O3B | PB | O1B | HO1B | 60.8° | 60.0° |
| O1B | PB | O3B | HO3B | 131.4° | 60.0° |
| O9' | C9' | H9' | H9'A | 119.8° | 120.1° |
| C9' | O9' | C7' | C8' | 77.1° | 84.0° |
| C9' | O9' | C7' | C6' | 161.3° | 156.0° |
| C9' | O9' | C7' | H7' | 39.5° | 36.0° |
| H9' | C9' | O9' | C7' | 135.7° | 163.6° |
| H9'A | C9' | O9' | C7' | 15.5° | 43.6° |
| O9' | C7' | C8' | C6' | 115.0° | 120.0° |
| O9' | C7' | C8' | H7' | 123.0° | 120.0° |
| O9' | C7' | C8' | H8' | 98.3° | 65.2° |
| O9' | C7' | C8' | H8'A | 21.8° | 174.7° |
| O9' | C7' | C8' | H8'B | 141.8° | 54.7° |
| O9' | C7' | C6' | H7' | 122.8° | 120.0° |
| O9' | C7' | C6' | N9 | 70.4° | 65.0° |
| O9' | C7' | C6' | H6' | 169.6° | 55.1° |
| O9' | C7' | C6' | H6'A | 47.0° | 175.0° |
| C7' | C8' | H8' | H8'A | 120.0° | 120.0° |
| C7' | C8' | H8' | H8'B | 120.0° | 119.9° |
| C7' | C8' | H8'A | H8'B | 120.0° | 120.0° |
| C8' | C7' | C6' | H7' | 116.7° | 120.0° |
| C8' | C7' | C6' | N9 | 50.1° | 175.0° |
| C8' | C7' | C6' | H6' | 69.9° | 65.0° |
| C8' | C7' | C6' | H6'A | 167.5° | 55.0° |
| H8' | C8' | H8'A | H8'B | 120.0° | 120.0° |
| H8' | C8' | C7' | C6' | 16.7° | 174.8° |
| H8' | C8' | C7' | H7' | 138.7° | 54.8° |
| H8'A | C8' | C7' | C6' | 136.7° | 54.7° |
| H8'A | C8' | C7' | H7' | 101.3° | 65.3° |
| H8'B | C8' | C7' | C6' | 103.3° | 65.3° |
| H8'B | C8' | C7' | H7' | 18.7° | 174.7° |
| C7' | C6' | N9 | H6' | 120.0° | 120.0° |
| C7' | C6' | N9 | H6'A | 117.4° | 120.0° |
| C7' | C6' | H6' | H6'A | 117.7° | 120.0° |
| C7' | C6' | N9 | C4 | 105.5° | 85.0° |
| C7' | C6' | N9 | C8 | 84.3° | 95.3° |
| H7' | C7' | C6' | N9 | 166.8° | 55.0° |
| H7' | C7' | C6' | H6' | 46.8° | 175.0° |
| H7' | C7' | C6' | H6'A | 75.8° | 65.0° |
| N9 | C6' | H6' | H6'A | 117.6° | 120.0° |
| C6' | N9 | C4 | C8 | 171.6° | 179.8° |
| C6' | N9 | C4 | C5 | 171.5° | 180.0° |
| C6' | N9 | C4 | N3 | 10.3° | 0.1° |
| C6' | N9 | C8 | N7 | 174.0° | 179.8° |
| C6' | N9 | C8 | H8 | 6.0° | 0.3° |
| H6' | C6' | N9 | C4 | 14.5° | 35.1° |
| H6' | C6' | N9 | C8 | 155.7° | 144.7° |
| H6'A | C6' | N9 | C4 | 137.0° | 155.0° |
| H6'A | C6' | N9 | C8 | 33.1° | 24.7° |
| N9 | C4 | C5 | N3 | 178.2° | 179.9° |
| N9 | C4 | N3 | C2 | 179.3° | 179.9° |
| N9 | C4 | C5 | C6 | 179.1° | 180.0° |
| N9 | C4 | C5 | N7 | 1.9° | 0.0° |
| C4 | N9 | C8 | N7 | 1.9° | 0.4° |
| C4 | N9 | C8 | H8 | 178.1° | 180.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.2° |
| C8 | N9 | C4 | N3 | 178.1° | 179.7° |
| N9 | C8 | N7 | C5 | 3.0° | 0.4° |
| N9 | C8 | N7 | H8 | 180.0° | 179.6° |
| C5 | C4 | N3 | C2 | 2.9° | 0.0° |
| C4 | C5 | C6 | N1 | 1.0° | 0.1° |
| C4 | C5 | C6 | N6 | 178.9° | 180.0° |
| C4 | C5 | C6 | N7 | 178.7° | 180.0° |
| C4 | C5 | N7 | C8 | 2.9° | 0.2° |
| C4 | N3 | C2 | N1 | 1.5° | 0.0° |
| C4 | N3 | C2 | H2 | 178.5° | 179.9° |
| N3 | C4 | C5 | C6 | 2.7° | 0.1° |
| N3 | C4 | C5 | N7 | 176.3° | 180.0° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.1° | 0.1° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| H2 | C2 | N1 | C6 | 179.8° | 180.0° |
| N1 | C6 | N6 | C5 | 179.9° | 180.0° |
| N1 | C6 | N6 | HN6 | 171.4° | 0.1° |
| N1 | C6 | N6 | HN6A | 68.6° | 180.0° |
| N1 | C6 | C5 | N7 | 177.7° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 179.9° |
| N6 | C6 | C5 | N7 | 2.4° | 0.0° |
| C5 | C6 | N6 | HN6 | 8.5° | 180.0° |
| C5 | C6 | N6 | HN6A | 111.5° | 0.1° |
| C6 | C5 | N7 | C8 | 178.3° | 179.8° |
| C5 | N7 | C8 | H8 | 177.0° | 180.0° |
