GT3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C2 | sing | 1.37Å | 1.36Å | |
| O1' | C1' | sing | 1.43Å | 1.44Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| C2 | N1 | sing | 1.36Å | 1.38Å | |
| N3 | C4 | sing | 1.34Å | 1.38Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| N2' | C2' | sing | 1.46Å | 1.47Å | |
| N2' | C2A | sing | 1.35Å | 1.35Å | |
| C2' | C3' | sing | 1.53Å | 1.54Å | |
| C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.34Å | Aromatic |
| C2B | C2A | sing | 1.51Å | 1.53Å | |
| C2B | N9 | sing | 1.47Å | 1.41Å | |
| C2A | O2A | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.41Å | 1.34Å | |
| C6 | O6 | doub | 1.22Å | 1.25Å | |
| N9 | C8 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C3A | sing | 1.53Å | 1.54Å | |
| C8 | N7 | doub | 1.30Å | 1.31Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C2B | H5 | sing | 1.09Å | 1.10Å | |
| C2B | H6 | sing | 1.09Å | 1.10Å | |
| N2' | H7 | sing | 0.97Å | 1.00Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| C3A | H10 | sing | 1.09Å | 1.10Å | |
| C3A | H11 | sing | 1.09Å | 1.10Å | |
| C3A | H12 | sing | 1.09Å | 1.10Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| C1' | H14 | sing | 1.09Å | 1.10Å | |
| C1' | H15 | sing | 1.09Å | 1.10Å | |
| O1' | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C2 | N3 | 123.8° | 119.1° |
| N2 | C2 | N1 | 117.8° | 119.0° |
| C2 | N2 | H2 | 120.0° | 120.0° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| O1' | C1' | C2' | 108.1° | 109.5° |
| O1' | C1' | H14 | 109.8° | 109.5° |
| O1' | C1' | H15 | 109.8° | 109.5° |
| C1' | O1' | H16 | 109.5° | 114.0° |
| C1' | C2' | N2' | 111.4° | 109.5° |
| C1' | C2' | C3' | 108.4° | 109.4° |
| C1' | C2' | H8 | 108.7° | 109.5° |
| C2' | C1' | H14 | 109.8° | 109.4° |
| C2' | C1' | H15 | 109.8° | 109.5° |
| N3 | C2 | N1 | 118.4° | 121.9° |
| C2 | N3 | C4 | 119.4° | 121.2° |
| C2 | N1 | C6 | 121.5° | 120.3° |
| C2 | N1 | H1 | 119.2° | 119.9° |
| N3 | C4 | N9 | 130.5° | 134.2° |
| N3 | C4 | C5 | 122.8° | 119.7° |
| N1 | C6 | C5 | 118.5° | 118.4° |
| N1 | C6 | O6 | 116.3° | 120.8° |
| C6 | N1 | H1 | 119.2° | 119.8° |
| C2' | N2' | C2A | 118.9° | 120.0° |
| N2' | C2' | C3' | 110.3° | 109.5° |
| C2' | N2' | H7 | 120.6° | 120.0° |
| N2' | C2' | H8 | 109.4° | 109.4° |
| N2' | C2A | C2B | 114.5° | 120.0° |
| N2' | C2A | O2A | 122.3° | 120.0° |
| C2A | N2' | H7 | 120.5° | 120.0° |
| C2' | C3' | O3' | 110.0° | 109.5° |
| C2' | C3' | C3A | 111.6° | 109.5° |
| C3' | C2' | H8 | 108.5° | 109.5° |
| C2' | C3' | H9 | 108.0° | 109.4° |
| N9 | C4 | C5 | 106.7° | 106.1° |
| C4 | N9 | C2B | 130.1° | 126.3° |
| C4 | N9 | C8 | 108.9° | 107.4° |
| C4 | C5 | C6 | 119.4° | 118.6° |
| C4 | C5 | N7 | 108.8° | 107.2° |
| C2A | C2B | N9 | 110.1° | 109.5° |
| C2B | C2A | O2A | 123.0° | 120.0° |
| C2A | C2B | H5 | 109.3° | 109.5° |
| C2A | C2B | H6 | 109.3° | 109.5° |
| C2B | N9 | C8 | 121.0° | 126.3° |
| N9 | C2B | H5 | 109.3° | 109.4° |
| N9 | C2B | H6 | 109.3° | 109.4° |
| C5 | C6 | O6 | 125.1° | 120.8° |
| C6 | C5 | N7 | 131.8° | 134.2° |
| N9 | C8 | N7 | 108.5° | 109.8° |
| N9 | C8 | H4 | 125.8° | 125.1° |
| C5 | N7 | C8 | 107.1° | 109.4° |
| O3' | C3' | C3A | 109.6° | 109.5° |
| O3' | C3' | H9 | 109.5° | 109.5° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| C3A | C3' | H9 | 108.0° | 109.5° |
| C3' | C3A | H10 | 109.5° | 109.4° |
| C3' | C3A | H11 | 109.5° | 109.5° |
| C3' | C3A | H12 | 109.5° | 109.5° |
| N7 | C8 | H4 | 125.7° | 125.1° |
| H2 | N2 | H3 | 120.0° | 120.0° |
| H5 | C2B | H6 | 109.4° | 109.5° |
| H10 | C3A | H11 | 109.4° | 109.5° |
| H10 | C3A | H12 | 109.5° | 109.5° |
| H11 | C3A | H12 | 109.5° | 109.5° |
| H14 | C1' | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C2 | N3 | N1 | 179.4° | 180.0° |
| N2 | C2 | N3 | C4 | 178.3° | 180.0° |
| N2 | C2 | N1 | C6 | 178.3° | 180.0° |
| N2 | C2 | N1 | H1 | 1.8° | 0.0° |
| C2 | N2 | H2 | H3 | 180.0° | 180.0° |
| O1' | C1' | C2' | H14 | 119.8° | 120.0° |
| O1' | C1' | C2' | H15 | 119.8° | 120.1° |
| O1' | C1' | C2' | N2' | 148.5° | 65.0° |
| O1' | C1' | C2' | C3' | 89.9° | 55.0° |
| O1' | C1' | C2' | H8 | 27.9° | 175.0° |
| O1' | C1' | H14 | H15 | 120.7° | 120.0° |
| C1' | C2' | N2' | C3' | 120.4° | 120.0° |
| C1' | C2' | N2' | H8 | 120.2° | 120.0° |
| C1' | C2' | N2' | C2A | 150.1° | 85.0° |
| C1' | C2' | C3' | H8 | 117.9° | 120.0° |
| C1' | C2' | C3' | O3' | 70.1° | 55.0° |
| C1' | C2' | C3' | C3A | 168.0° | 175.0° |
| C1' | C2' | N2' | H7 | 29.9° | 94.9° |
| C1' | C2' | C3' | H9 | 49.4° | 65.0° |
| C2' | C1' | H14 | H15 | 120.6° | 120.0° |
| C2' | C1' | O1' | H16 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 1.2° | 0.0° |
| C2 | N3 | C4 | N9 | 178.5° | 179.9° |
| C2 | N3 | C4 | C5 | 1.4° | 0.0° |
| N3 | C2 | N1 | H1 | 178.8° | 180.0° |
| N3 | C2 | N2 | H2 | 0.0° | 0.0° |
| N3 | C2 | N2 | H3 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 1.2° | 0.0° |
| C2 | N1 | C6 | H1 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 1.3° | 0.0° |
| C2 | N1 | C6 | O6 | 179.9° | 179.8° |
| N1 | C2 | N2 | H2 | 179.4° | 180.0° |
| N1 | C2 | N2 | H3 | 0.6° | 0.0° |
| N3 | C4 | N9 | C5 | 177.5° | 179.9° |
| N3 | C4 | N9 | C2B | 3.7° | 0.1° |
| N3 | C4 | C5 | C6 | 1.5° | 0.0° |
| N3 | C4 | N9 | C8 | 179.2° | 180.0° |
| N3 | C4 | C5 | N7 | 178.7° | 179.9° |
| N1 | C6 | C5 | C4 | 1.4° | 0.0° |
| N1 | C6 | C5 | O6 | 178.5° | 179.8° |
| N1 | C6 | C5 | N7 | 178.9° | 179.8° |
| C2' | N2' | C2A | H7 | 180.0° | 179.9° |
| N2' | C2' | C3' | H8 | 119.9° | 120.0° |
| C2' | N2' | C2A | C2B | 177.0° | 180.0° |
| C2' | N2' | C2A | O2A | 1.9° | 0.1° |
| N2' | C2' | C3' | O3' | 52.1° | 65.0° |
| N2' | C2' | C3' | C3A | 69.8° | 55.0° |
| N2' | C2' | C3' | H9 | 171.6° | 175.0° |
| N2' | C2' | C1' | H14 | 28.7° | 55.0° |
| N2' | C2' | C1' | H15 | 91.7° | 175.0° |
| C2A | N2' | C2' | C3' | 89.5° | 155.0° |
| N2' | C2A | C2B | O2A | 175.1° | 180.0° |
| N2' | C2A | C2B | N9 | 172.1° | 180.0° |
| N2' | C2A | C2B | H5 | 52.0° | 60.0° |
| N2' | C2A | C2B | H6 | 67.8° | 60.1° |
| C2A | N2' | C2' | H8 | 29.8° | 35.0° |
| C2' | C3' | O3' | C3A | 123.1° | 120.0° |
| C2' | C3' | O3' | H9 | 118.6° | 120.0° |
| C2' | C3' | C3A | H9 | 118.6° | 120.0° |
| C3' | C2' | N2' | H7 | 90.5° | 25.0° |
| C2' | C3' | C3A | H10 | 180.0° | 60.0° |
| C2' | C3' | C3A | H11 | 60.0° | 180.0° |
| C2' | C3' | C3A | H12 | 60.0° | 60.0° |
| C2' | C3' | O3' | H13 | 180.0° | 59.9° |
| C3' | C2' | C1' | H14 | 150.3° | 175.0° |
| C3' | C2' | C1' | H15 | 29.9° | 65.0° |
| C4 | N9 | C2B | C2A | 68.2° | 85.0° |
| C4 | N9 | C2B | C8 | 176.8° | 179.9° |
| N9 | C4 | C5 | C6 | 179.2° | 179.9° |
| N9 | C4 | C5 | N7 | 1.0° | 0.1° |
| C4 | N9 | C8 | N7 | 1.8° | 0.2° |
| C4 | N9 | C8 | H4 | 178.2° | 179.9° |
| C4 | N9 | C2B | H5 | 51.9° | 155.0° |
| C4 | N9 | C2B | H6 | 171.7° | 35.0° |
| C5 | C4 | N9 | C2B | 178.9° | 180.0° |
| C4 | C5 | C6 | N7 | 179.7° | 179.8° |
| C4 | C5 | C6 | O6 | 179.9° | 179.8° |
| C5 | C4 | N9 | C8 | 1.7° | 0.1° |
| C4 | C5 | N7 | C8 | 0.1° | 0.2° |
| C2A | C2B | N9 | H5 | 120.1° | 120.0° |
| C2A | C2B | N9 | H6 | 120.1° | 120.0° |
| C2A | C2B | N9 | C8 | 115.0° | 95.1° |
| C2A | C2B | H5 | H6 | 119.7° | 120.0° |
| C2B | C2A | N2' | H7 | 3.0° | 0.1° |
| N9 | C2B | C2A | O2A | 12.9° | 0.0° |
| C2B | N9 | C8 | N7 | 179.3° | 179.9° |
| C2B | N9 | C8 | H4 | 0.7° | 0.2° |
| N9 | C2B | H5 | H6 | 119.7° | 120.0° |
| O2A | C2A | C2B | H5 | 133.0° | 119.9° |
| O2A | C2A | C2B | H6 | 107.2° | 120.0° |
| O2A | C2A | N2' | H7 | 178.1° | 180.0° |
| C6 | C5 | N7 | C8 | 179.7° | 180.0° |
| C5 | C6 | N1 | H1 | 178.7° | 180.0° |
| O6 | C6 | C5 | N7 | 0.3° | 0.0° |
| O6 | C6 | N1 | H1 | 0.0° | 0.2° |
| N9 | C8 | N7 | C5 | 1.1° | 0.3° |
| N9 | C8 | N7 | H4 | 180.0° | 179.7° |
| C8 | N9 | C2B | H5 | 124.9° | 24.9° |
| C8 | N9 | C2B | H6 | 5.1° | 144.9° |
| C5 | N7 | C8 | H4 | 178.8° | 180.0° |
| O3' | C3' | C3A | H9 | 119.3° | 120.1° |
| O3' | C3' | C2' | H8 | 172.0° | 175.0° |
| O3' | C3' | C3A | H10 | 57.8° | 60.0° |
| O3' | C3' | C3A | H11 | 177.8° | 60.0° |
| O3' | C3' | C3A | H12 | 62.2° | 180.0° |
| C3A | C3' | C2' | H8 | 50.1° | 65.0° |
| C3' | C3A | H10 | H11 | 120.0° | 120.0° |
| C3' | C3A | H10 | H12 | 120.0° | 119.9° |
| C3' | C3A | H11 | H12 | 120.0° | 120.0° |
| C3A | C3' | O3' | H13 | 56.9° | 60.1° |
| H7 | N2' | C2' | H8 | 150.1° | 145.0° |
| H8 | C2' | C3' | H9 | 68.5° | 55.0° |
| H8 | C2' | C1' | H14 | 91.9° | 65.0° |
| H8 | C2' | C1' | H15 | 147.7° | 55.0° |
| H9 | C3' | C3A | H10 | 61.4° | 179.9° |
| H9 | C3' | C3A | H11 | 58.6° | 60.1° |
| H9 | C3' | C3A | H12 | 178.6° | 60.0° |
| H9 | C3' | O3' | H13 | 61.4° | 179.9° |
| H10 | C3A | H11 | H12 | 120.0° | 120.1° |
| H14 | C1' | O1' | H16 | 60.2° | 60.0° |
| H15 | C1' | O1' | H16 | 60.2° | 60.0° |
