IMQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | N1 | doub | 1.34Å | 1.35Å | Aromatic |
| C9 | C4 | sing | 1.42Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| N1 | C10 | sing | 1.31Å | 1.32Å | Aromatic |
| C10 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | C1 | sing | 1.51Å | 1.54Å | |
| C1 | N4' | sing | 1.47Å | 1.50Å | |
| N4' | C1' | sing | 1.48Å | 1.46Å | |
| N4' | C4' | sing | 1.47Å | 1.48Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.55Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.54Å | 1.55Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C1' | H1'A | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C9 | C4 | 119.2° | 119.8° |
| N1 | C9 | C8 | 120.5° | 121.1° |
| C9 | N1 | C10 | 122.6° | 121.3° |
| C4 | C9 | C8 | 120.2° | 119.1° |
| C9 | C4 | C3 | 119.2° | 119.0° |
| C9 | C4 | C5 | 120.5° | 119.6° |
| C9 | C8 | C7 | 118.7° | 119.8° |
| C9 | C8 | C1 | 124.4° | 120.1° |
| N1 | C10 | C2 | 120.5° | 121.8° |
| N1 | C10 | H10 | 119.7° | 119.1° |
| C10 | C2 | C3 | 118.7° | 119.9° |
| C2 | C10 | H10 | 119.8° | 119.1° |
| C10 | C2 | H2 | 120.7° | 120.0° |
| C2 | C3 | C4 | 119.7° | 118.2° |
| C3 | C2 | H2 | 120.6° | 120.1° |
| C2 | C3 | H3 | 120.1° | 120.9° |
| C3 | C4 | C5 | 120.2° | 121.4° |
| C4 | C3 | H3 | 120.2° | 120.9° |
| C4 | C5 | C6 | 119.5° | 119.6° |
| C4 | C5 | H5 | 120.2° | 120.1° |
| C5 | C6 | C7 | 120.1° | 120.8° |
| C6 | C5 | H5 | 120.3° | 120.2° |
| C5 | C6 | H6 | 119.9° | 119.6° |
| C6 | C7 | C8 | 120.9° | 121.1° |
| C7 | C6 | H6 | 119.9° | 119.6° |
| C6 | C7 | H7 | 119.5° | 119.4° |
| C7 | C8 | C1 | 117.0° | 120.2° |
| C8 | C7 | H7 | 119.6° | 119.5° |
| C8 | C1 | N4' | 115.6° | 109.5° |
| C8 | C1 | H1 | 107.5° | 109.4° |
| C8 | C1 | H1A | 106.0° | 109.5° |
| C1 | N4' | C1' | 117.1° | 111.0° |
| C1 | N4' | C4' | 120.3° | 111.0° |
| N4' | C1 | H1 | 107.5° | 109.5° |
| N4' | C1 | H1A | 106.1° | 109.5° |
| C1' | N4' | C4' | 111.5° | 108.6° |
| N4' | C1' | C2' | 101.5° | 104.8° |
| N4' | C1' | H1' | 112.2° | 110.4° |
| N4' | C1' | H1'A | 113.9° | 110.4° |
| N4' | C4' | C3' | 102.6° | 107.2° |
| N4' | C4' | C5' | 114.1° | 109.9° |
| N4' | C4' | H4' | 110.9° | 109.9° |
| C1' | C2' | O2' | 108.7° | 111.0° |
| C1' | C2' | C3' | 106.6° | 101.6° |
| C2' | C1' | H1' | 112.2° | 110.4° |
| C2' | C1' | H1'A | 113.9° | 110.4° |
| C1' | C2' | H2' | 113.2° | 111.0° |
| O2' | C2' | C3' | 113.1° | 111.0° |
| O2' | C2' | H2' | 106.7° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 111.6° | 110.7° |
| C2' | C3' | C4' | 106.0° | 103.0° |
| C3' | C2' | H2' | 108.8° | 111.0° |
| C2' | C3' | H3' | 111.0° | 110.7° |
| O3' | C3' | C4' | 111.2° | 110.7° |
| O3' | C3' | H3' | 105.8° | 110.6° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | C5' | 108.8° | 109.9° |
| C4' | C3' | H3' | 111.3° | 110.9° |
| C3' | C4' | H4' | 115.9° | 109.9° |
| C4' | C5' | O5' | 110.7° | 109.5° |
| C5' | C4' | H4' | 104.9° | 110.0° |
| C4' | C5' | H5' | 109.1° | 109.5° |
| C4' | C5' | H5'A | 108.8° | 109.5° |
| O5' | C5' | H5' | 109.1° | 109.5° |
| O5' | C5' | H5'A | 108.8° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| H1 | C1 | H1A | 114.4° | 109.5° |
| H1' | C1' | H1'A | 103.4° | 110.4° |
| H5' | C5' | H5'A | 110.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C9 | C4 | C8 | 179.7° | 179.7° |
| C9 | N1 | C10 | C2 | 0.3° | 0.0° |
| N1 | C9 | C4 | C3 | 0.2° | 0.0° |
| N1 | C9 | C4 | C5 | 180.0° | 180.0° |
| N1 | C9 | C8 | C7 | 179.2° | 179.7° |
| N1 | C9 | C8 | C1 | 0.5° | 0.0° |
| C9 | N1 | C10 | H10 | 179.7° | 180.0° |
| C4 | C9 | N1 | C10 | 0.4° | 0.0° |
| C9 | C4 | C3 | C2 | 0.1° | 0.0° |
| C9 | C4 | C3 | C5 | 179.8° | 180.0° |
| C9 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C9 | C8 | C7 | 1.1° | 0.6° |
| C4 | C9 | C8 | C1 | 179.8° | 179.7° |
| C9 | C4 | C3 | H3 | 179.9° | 179.9° |
| C9 | C4 | C5 | H5 | 179.8° | 180.0° |
| C8 | C9 | N1 | C10 | 179.2° | 179.7° |
| C8 | C9 | C4 | C3 | 179.5° | 179.7° |
| C8 | C9 | C4 | C5 | 0.4° | 0.3° |
| C9 | C8 | C7 | C6 | 1.3° | 0.6° |
| C9 | C8 | C7 | C1 | 178.7° | 179.7° |
| C9 | C8 | C1 | N4' | 81.3° | 80.0° |
| C9 | C8 | C7 | H7 | 178.6° | 179.7° |
| C9 | C8 | C1 | H1 | 158.7° | 160.0° |
| C9 | C8 | C1 | H1A | 35.9° | 40.1° |
| N1 | C10 | C2 | H10 | 180.0° | 180.0° |
| N1 | C10 | C2 | C3 | 0.0° | 0.0° |
| N1 | C10 | C2 | H2 | 180.0° | 180.0° |
| C10 | C2 | C3 | H2 | 180.0° | 180.0° |
| C10 | C2 | C3 | C4 | 0.2° | 0.0° |
| C10 | C2 | C3 | H3 | 179.8° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C3 | C2 | C10 | H10 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.9° | 180.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C5 | C4 | C3 | H3 | 0.2° | 0.1° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.8° | 0.3° |
| C5 | C6 | C7 | H7 | 179.2° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.7° |
| C6 | C7 | C8 | C1 | 179.9° | 179.7° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C8 | C1 | N4' | 100.0° | 100.3° |
| C8 | C7 | C6 | H6 | 179.2° | 179.7° |
| C7 | C8 | C1 | H1 | 20.0° | 19.7° |
| C7 | C8 | C1 | H1A | 142.8° | 139.7° |
| C8 | C1 | N4' | H1 | 120.0° | 119.9° |
| C8 | C1 | N4' | H1A | 117.2° | 120.0° |
| C8 | C1 | N4' | C1' | 34.4° | 67.5° |
| C8 | C1 | N4' | C4' | 106.5° | 171.7° |
| C1 | C8 | C7 | H7 | 0.1° | 0.0° |
| C8 | C1 | H1 | H1A | 117.4° | 120.0° |
| C1 | N4' | C1' | C4' | 144.1° | 122.2° |
| C1 | N4' | C1' | C2' | 179.9° | 146.3° |
| C1 | N4' | C4' | C3' | 172.9° | 123.3° |
| C1 | N4' | C4' | C5' | 55.3° | 3.9° |
| N4' | C1 | H1 | H1A | 117.5° | 120.1° |
| C1 | N4' | C1' | H1' | 59.8° | 94.8° |
| C1 | N4' | C1' | H1'A | 57.3° | 27.5° |
| C1 | N4' | C4' | H4' | 62.8° | 117.3° |
| N4' | C1' | C2' | H1' | 120.0° | 118.8° |
| N4' | C1' | C2' | H1'A | 122.8° | 118.8° |
| N4' | C1' | C2' | O2' | 95.6° | 81.0° |
| N4' | C1' | C2' | C3' | 26.7° | 37.1° |
| C1' | N4' | C4' | C3' | 30.0° | 1.0° |
| C1' | N4' | C4' | C5' | 87.5° | 118.4° |
| C1' | N4' | C1 | H1 | 154.4° | 52.5° |
| C1' | N4' | C1 | H1A | 82.8° | 172.5° |
| N4' | C1' | H1' | H1'A | 123.2° | 122.3° |
| N4' | C1' | C2' | H2' | 146.2° | 155.2° |
| C1' | N4' | C4' | H4' | 154.4° | 120.4° |
| C4' | N4' | C1' | C2' | 36.0° | 24.1° |
| N4' | C4' | C3' | C2' | 10.7° | 22.3° |
| N4' | C4' | C3' | O3' | 110.7° | 140.7° |
| N4' | C4' | C3' | C5' | 121.2° | 119.4° |
| N4' | C4' | C3' | H4' | 121.0° | 119.4° |
| N4' | C4' | C5' | H4' | 121.5° | 121.1° |
| N4' | C4' | C5' | O5' | 81.0° | 65.8° |
| C4' | N4' | C1 | H1 | 13.5° | 68.4° |
| C4' | N4' | C1 | H1A | 136.3° | 51.7° |
| C4' | N4' | C1' | H1' | 156.0° | 142.9° |
| C4' | N4' | C1' | H1'A | 86.8° | 94.7° |
| N4' | C4' | C3' | H3' | 131.6° | 96.2° |
| N4' | C4' | C5' | H5' | 159.0° | 54.2° |
| N4' | C4' | C5' | H5'A | 38.5° | 174.2° |
| C1' | C2' | O2' | C3' | 118.2° | 112.3° |
| C1' | C2' | O2' | H2' | 122.3° | 123.8° |
| C1' | C2' | C3' | H2' | 122.3° | 118.1° |
| C1' | C2' | C3' | O3' | 131.1° | 154.0° |
| C1' | C2' | C3' | C4' | 9.8° | 35.6° |
| C2' | C1' | H1' | H1'A | 123.2° | 122.3° |
| C1' | C2' | O2' | HO2' | 102.3° | 61.4° |
| C1' | C2' | C3' | H3' | 111.2° | 82.9° |
| O2' | C2' | C3' | H2' | 118.3° | 123.8° |
| O2' | C2' | C3' | O3' | 11.7° | 35.9° |
| O2' | C2' | C3' | C4' | 109.6° | 82.5° |
| O2' | C2' | C1' | H1' | 24.5° | 37.8° |
| O2' | C2' | C1' | H1'A | 141.6° | 160.1° |
| O2' | C2' | C3' | H3' | 129.4° | 159.0° |
| C2' | C3' | O3' | C4' | 118.2° | 113.6° |
| C2' | C3' | O3' | H3' | 120.8° | 123.1° |
| C2' | C3' | C4' | H3' | 120.8° | 118.4° |
| C2' | C3' | C4' | C5' | 110.4° | 141.7° |
| C3' | C2' | C1' | H1' | 146.7° | 155.9° |
| C3' | C2' | C1' | H1'A | 96.2° | 81.8° |
| C3' | C2' | O2' | HO2' | 15.9° | 173.7° |
| C2' | C3' | O3' | HO3' | 159.2° | 61.4° |
| C2' | C3' | C4' | H4' | 131.7° | 97.1° |
| O3' | C3' | C4' | H3' | 117.7° | 123.2° |
| O3' | C3' | C4' | C5' | 128.1° | 99.9° |
| O3' | C3' | C2' | H2' | 106.6° | 87.9° |
| O3' | C3' | C4' | H4' | 10.2° | 21.3° |
| C3' | C4' | C5' | H4' | 124.6° | 121.1° |
| C3' | C4' | C5' | O5' | 165.1° | 52.0° |
| C4' | C3' | C2' | H2' | 132.2° | 153.7° |
| C4' | C3' | O3' | HO3' | 41.0° | 175.0° |
| C3' | C4' | C5' | H5' | 45.1° | 172.0° |
| C3' | C4' | C5' | H5'A | 75.4° | 68.0° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 119.5° | 120.0° |
| C5' | C4' | C3' | H3' | 10.4° | 23.3° |
| C4' | C5' | H5' | H5'A | 119.5° | 120.0° |
| C4' | C5' | O5' | HO5' | 131.0° | 180.0° |
| O5' | C5' | C4' | H4' | 40.5° | 173.1° |
| O5' | C5' | H5' | H5'A | 119.5° | 120.0° |
| H10 | C10 | C2 | H2 | 0.0° | 0.0° |
| H2 | C2 | C3 | H3 | 0.2° | 0.1° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| H6 | C6 | C7 | H7 | 0.8° | 0.0° |
| H1' | C1' | C2' | H2' | 93.8° | 86.0° |
| H1'A | C1' | C2' | H2' | 23.3° | 36.4° |
| H2' | C2' | O2' | HO2' | 135.4° | 62.4° |
| H2' | C2' | C3' | H3' | 11.1° | 35.2° |
| H3' | C3' | O3' | HO3' | 80.0° | 61.7° |
| H3' | C3' | C4' | H4' | 107.5° | 144.4° |
| H4' | C4' | C5' | H5' | 79.5° | 67.0° |
| H4' | C4' | C5' | H5'A | 160.0° | 53.1° |
| H5' | C5' | O5' | HO5' | 109.0° | 60.0° |
| H5'A | C5' | O5' | HO5' | 11.5° | 60.0° |
