6CR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.37Å | Aromatic |
| N20 | C2 | sing | 1.39Å | 1.35Å | |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.47Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.46Å | Aromatic |
| C6 | CL1 | sing | 1.74Å | 1.80Å | |
| C8 | N7 | doub | 1.30Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C2' | C1' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| C3' | C2' | sing | 1.54Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| N20 | HN2A | sing | 0.97Å | 1.00Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| 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) |
| C2 | N1 | C6 | 122.5° | 121.3° |
| N1 | C2 | N3 | 121.3° | 122.2° |
| N1 | C2 | N20 | 116.7° | 119.0° |
| N1 | C6 | C5 | 119.1° | 118.7° |
| N1 | C6 | CL1 | 120.2° | 120.7° |
| N3 | C2 | N20 | 122.0° | 118.9° |
| C2 | N3 | C4 | 122.1° | 120.4° |
| C2 | N20 | HN20 | 109.5° | 119.9° |
| C2 | N20 | HN2A | 109.5° | 120.0° |
| N3 | C4 | N9 | 136.4° | 134.9° |
| N3 | C4 | C5 | 118.2° | 119.1° |
| N9 | C4 | C5 | 105.4° | 106.0° |
| C4 | N9 | C8 | 108.9° | 107.5° |
| C4 | N9 | C1' | 127.9° | 126.3° |
| C4 | C5 | N7 | 107.7° | 107.0° |
| C4 | C5 | C6 | 116.8° | 118.4° |
| N7 | C5 | C6 | 135.5° | 134.6° |
| C5 | N7 | C8 | 107.2° | 109.5° |
| C5 | C6 | CL1 | 120.6° | 120.6° |
| N7 | C8 | N9 | 110.8° | 110.1° |
| N7 | C8 | H8 | 124.6° | 125.0° |
| N9 | C8 | H8 | 124.6° | 124.9° |
| C8 | N9 | C1' | 123.0° | 126.3° |
| N9 | C1' | C2' | 114.1° | 110.4° |
| N9 | C1' | O4' | 95.8° | 110.3° |
| N9 | C1' | H1' | 113.5° | 110.3° |
| C2' | C1' | O4' | 105.7° | 104.8° |
| C2' | C1' | H1' | 112.6° | 110.5° |
| C1' | C2' | O2' | 110.8° | 110.5° |
| C1' | C2' | C3' | 105.4° | 104.0° |
| C1' | C2' | H2' | 109.5° | 110.5° |
| O4' | C1' | H1' | 113.9° | 110.4° |
| C1' | O4' | C4' | 113.0° | 105.3° |
| O2' | C2' | C3' | 110.5° | 110.6° |
| O2' | C2' | H2' | 110.8° | 110.5° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C3' | C2' | H2' | 109.7° | 110.5° |
| C2' | C3' | O3' | 106.0° | 110.6° |
| C2' | C3' | C4' | 105.5° | 104.1° |
| C2' | C3' | H3' | 112.7° | 110.5° |
| HN20 | N20 | HN2A | 109.4° | 120.0° |
| O3' | C3' | C4' | 105.4° | 110.5° |
| O3' | C3' | H3' | 114.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 112.5° | 110.5° |
| C3' | C4' | O4' | 105.2° | 104.8° |
| C3' | C4' | C5' | 113.3° | 110.4° |
| C3' | C4' | H4' | 108.9° | 110.4° |
| O4' | C4' | C5' | 110.5° | 110.4° |
| O4' | C4' | H4' | 110.1° | 110.4° |
| C5' | C4' | H4' | 108.8° | 110.4° |
| C4' | C5' | O5' | 109.6° | 109.5° |
| C4' | C5' | H5' | 109.4° | 109.4° |
| C4' | C5' | H5'A | 109.5° | 109.5° |
| O5' | C5' | H5' | 109.4° | 109.5° |
| O5' | C5' | H5'A | 109.4° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| H5' | C5' | H5'A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | N20 | 179.8° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.1° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| C2 | N1 | C6 | CL1 | 178.2° | 180.0° |
| N1 | C2 | N20 | HN20 | 0.0° | 0.0° |
| N1 | C2 | N20 | HN2A | 120.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| C6 | N1 | C2 | N20 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | N7 | 179.5° | 180.0° |
| N1 | C6 | C5 | CL1 | 177.7° | 180.0° |
| C2 | N3 | C4 | N9 | 178.1° | 179.9° |
| C2 | N3 | C4 | C5 | 1.1° | 0.0° |
| N3 | C2 | N20 | HN20 | 179.8° | 180.0° |
| N3 | C2 | N20 | HN2A | 59.8° | 0.0° |
| N20 | C2 | N3 | C4 | 179.2° | 180.0° |
| C2 | N20 | HN20 | HN2A | 120.0° | 180.0° |
| N3 | C4 | N9 | C5 | 177.2° | 180.0° |
| N3 | C4 | C5 | N7 | 178.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.9° | 0.0° |
| N3 | C4 | N9 | C8 | 179.0° | 180.0° |
| N3 | C4 | N9 | C1' | 5.5° | 0.0° |
| N9 | C4 | C5 | N7 | 1.0° | 0.0° |
| N9 | C4 | C5 | C6 | 178.7° | 180.0° |
| C4 | N9 | C8 | N7 | 1.9° | 0.0° |
| C4 | N9 | C8 | C1' | 175.8° | 180.0° |
| C4 | N9 | C8 | H8 | 178.1° | 180.0° |
| C4 | N9 | C1' | C2' | 16.0° | 88.1° |
| C4 | N9 | C1' | O4' | 94.1° | 156.5° |
| C4 | N9 | C1' | H1' | 146.7° | 34.3° |
| C4 | C5 | N7 | C6 | 179.6° | 180.0° |
| C4 | C5 | C6 | CL1 | 177.6° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.1° |
| C5 | C4 | N9 | C8 | 1.7° | 0.0° |
| C5 | C4 | N9 | C1' | 177.3° | 180.0° |
| N7 | C5 | C6 | CL1 | 2.8° | 0.0° |
| C5 | N7 | C8 | N9 | 1.2° | 0.1° |
| C5 | N7 | C8 | H8 | 178.8° | 180.0° |
| C6 | C5 | N7 | C8 | 179.7° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 177.7° | 180.0° |
| C8 | N9 | C1' | C2' | 169.1° | 91.9° |
| C8 | N9 | C1' | O4' | 80.9° | 23.5° |
| C8 | N9 | C1' | H1' | 38.3° | 145.7° |
| H8 | C8 | N9 | C1' | 2.3° | 0.1° |
| N9 | C1' | C2' | O4' | 103.9° | 118.8° |
| N9 | C1' | C2' | H1' | 131.2° | 122.3° |
| N9 | C1' | O4' | H1' | 118.9° | 122.1° |
| N9 | C1' | C2' | O2' | 119.6° | 98.4° |
| N9 | C1' | C2' | C3' | 120.8° | 142.8° |
| N9 | C1' | C2' | H2' | 2.9° | 24.2° |
| N9 | C1' | O4' | C4' | 121.2° | 159.4° |
| C2' | C1' | O4' | H1' | 124.0° | 119.0° |
| C1' | C2' | O2' | C3' | 116.5° | 114.7° |
| C1' | C2' | O2' | H2' | 121.7° | 122.6° |
| C1' | C2' | C3' | H2' | 117.8° | 118.6° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | O3' | 88.5° | 118.6° |
| C1' | C2' | C3' | C4' | 23.0° | 0.0° |
| C1' | C2' | C3' | H3' | 146.1° | 118.6° |
| C2' | C1' | O4' | C4' | 4.2° | 40.5° |
| O4' | C1' | C2' | O2' | 136.5° | 142.8° |
| O4' | C1' | C2' | C3' | 17.0° | 24.0° |
| O4' | C1' | C2' | H2' | 101.0° | 94.6° |
| C1' | O4' | C4' | C3' | 10.3° | 40.5° |
| C1' | O4' | C4' | C5' | 112.4° | 159.3° |
| C1' | O4' | C4' | H4' | 127.4° | 78.3° |
| H1' | C1' | C2' | O2' | 11.6° | 23.9° |
| H1' | C1' | C2' | C3' | 107.9° | 94.9° |
| H1' | C1' | C2' | H2' | 134.2° | 146.4° |
| H1' | C1' | O4' | C4' | 119.9° | 78.5° |
| O2' | C2' | C3' | H2' | 122.5° | 122.7° |
| O2' | C2' | C3' | O3' | 31.2° | 0.0° |
| O2' | C2' | C3' | C4' | 142.7° | 118.7° |
| O2' | C2' | C3' | H3' | 94.1° | 122.7° |
| C3' | C2' | O2' | HO2' | 63.5° | 65.3° |
| C2' | C3' | O3' | C4' | 111.6° | 114.7° |
| C2' | C3' | O3' | H3' | 124.5° | 122.7° |
| C2' | C3' | C4' | H3' | 123.3° | 118.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 180.0° |
| C2' | C3' | C4' | O4' | 20.5° | 24.0° |
| C2' | C3' | C4' | C5' | 100.3° | 142.8° |
| C2' | C3' | C4' | H4' | 138.5° | 94.9° |
| H2' | C2' | O2' | HO2' | 58.2° | 57.4° |
| H2' | C2' | C3' | O3' | 153.7° | 122.7° |
| H2' | C2' | C3' | C4' | 94.8° | 118.6° |
| H2' | C2' | C3' | H3' | 28.3° | 0.0° |
| O3' | C3' | C4' | H3' | 124.8° | 122.6° |
| O3' | C3' | C4' | O4' | 91.5° | 142.7° |
| O3' | C3' | C4' | C5' | 147.7° | 98.5° |
| O3' | C3' | C4' | H4' | 26.5° | 23.8° |
| C4' | C3' | O3' | HO3' | 68.4° | 65.3° |
| C3' | C4' | O4' | C5' | 122.6° | 118.8° |
| C3' | C4' | O4' | H4' | 117.2° | 118.8° |
| C3' | C4' | C5' | H4' | 121.3° | 122.3° |
| C3' | C4' | C5' | O5' | 179.0° | 175.0° |
| C3' | C4' | C5' | H5' | 61.0° | 55.0° |
| C3' | C4' | C5' | H5'A | 58.9° | 65.0° |
| H3' | C3' | O3' | HO3' | 55.5° | 57.3° |
| H3' | C3' | C4' | O4' | 143.7° | 94.7° |
| H3' | C3' | C4' | C5' | 23.0° | 24.1° |
| H3' | C3' | C4' | H4' | 98.3° | 146.5° |
| O4' | C4' | C5' | H4' | 121.0° | 122.3° |
| O4' | C4' | C5' | O5' | 61.3° | 69.6° |
| O4' | C4' | C5' | H5' | 178.7° | 170.4° |
| O4' | C4' | C5' | H5'A | 58.8° | 50.4° |
| C4' | C5' | O5' | H5' | 120.0° | 119.9° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C4' | C5' | H5' | H5'A | 119.9° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| H4' | C4' | C5' | O5' | 59.7° | 52.7° |
| H4' | C4' | C5' | H5' | 60.3° | 67.3° |
| H4' | C4' | C5' | H5'A | 179.8° | 172.7° |
| O5' | C5' | H5' | H5'A | 119.9° | 120.0° |
| H5' | C5' | O5' | HO5' | 60.0° | 60.1° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
