A1CWA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O6 | doub | 1.22Å | 1.25Å | |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | sing | 1.41Å | 1.32Å | |
| C2 | N1 | sing | 1.36Å | 1.36Å | |
| C2 | N2 | sing | 1.37Å | 1.30Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | |
| C4 | N3 | sing | 1.34Å | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.35Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.29Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.30Å | Aromatic |
| C1' | N9 | sing | 1.46Å | 1.44Å | |
| C1' | O4' | sing | 1.44Å | 1.47Å | |
| C1' | C2' | sing | 1.55Å | 1.56Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C3' | C2' | sing | 1.54Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| P1 | O5' | sing | 1.61Å | 1.61Å | |
| P1 | O1 | doub | 1.48Å | 1.47Å | |
| P1 | O2 | sing | 1.61Å | 1.47Å | |
| N10 | P1 | sing | 1.64Å | 1.76Å | |
| N10 | C11 | sing | 1.38Å | 1.34Å | Aromatic |
| N10 | C14 | sing | 1.36Å | 1.33Å | Aromatic |
| C11 | C12 | doub | 1.34Å | 1.34Å | Aromatic |
| C12 | N13 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
| C14 | N14 | sing | 1.38Å | 1.32Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N14 | H142 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | N1 | 117.4° | 120.8° |
| O6 | C6 | C5 | 127.5° | 120.8° |
| N1 | C6 | C5 | 115.1° | 118.4° |
| C6 | N1 | C2 | 124.2° | 120.3° |
| C6 | N1 | H1 | 117.9° | 119.8° |
| C6 | C5 | C4 | 120.6° | 118.6° |
| C6 | C5 | N7 | 133.2° | 134.1° |
| N1 | C2 | N2 | 119.4° | 119.1° |
| N1 | C2 | N3 | 121.1° | 121.9° |
| C2 | N1 | H1 | 117.9° | 119.8° |
| N2 | C2 | N3 | 119.5° | 119.1° |
| C2 | N2 | HN21 | 120.0° | 120.0° |
| C2 | N2 | HN22 | 120.0° | 120.0° |
| C2 | N3 | C4 | 114.2° | 121.2° |
| N3 | C4 | C5 | 124.8° | 119.7° |
| N3 | C4 | N9 | 127.9° | 134.2° |
| C5 | C4 | N9 | 107.4° | 106.2° |
| C4 | C5 | N7 | 106.2° | 107.3° |
| C4 | N9 | C8 | 108.4° | 107.4° |
| C4 | N9 | C1' | 123.2° | 126.3° |
| C5 | N7 | C8 | 108.7° | 109.3° |
| N7 | C8 | N9 | 109.3° | 109.9° |
| N7 | C8 | H8 | 125.4° | 125.0° |
| C8 | N9 | C1' | 128.3° | 126.3° |
| N9 | C8 | H8 | 125.4° | 125.1° |
| N9 | C1' | O4' | 107.9° | 110.4° |
| N9 | C1' | C2' | 110.7° | 110.4° |
| N9 | C1' | H1' | 110.3° | 110.4° |
| O4' | C1' | C2' | 109.5° | 104.8° |
| C1' | O4' | C4' | 106.6° | 105.3° |
| O4' | C1' | H1' | 109.9° | 110.5° |
| C1' | C2' | C3' | 101.3° | 104.2° |
| C1' | C2' | H2' | 111.5° | 110.5° |
| C1' | C2' | H2'' | 111.5° | 110.5° |
| C2' | C1' | H1' | 108.6° | 110.3° |
| O4' | C4' | C3' | 108.2° | 104.8° |
| O4' | C4' | C5' | 107.3° | 110.3° |
| O4' | C4' | H4' | 111.4° | 110.5° |
| C2' | C3' | O3' | 108.6° | 110.5° |
| C2' | C3' | C4' | 108.5° | 103.9° |
| C3' | C2' | H2' | 111.5° | 110.5° |
| C3' | C2' | H2'' | 111.5° | 110.5° |
| C2' | C3' | H3' | 110.1° | 110.5° |
| O3' | C3' | C4' | 107.1° | 110.5° |
| O3' | C3' | H3' | 112.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | C5' | 109.2° | 110.4° |
| C4' | C3' | H3' | 110.4° | 110.7° |
| C3' | C4' | H4' | 110.4° | 110.4° |
| C4' | C5' | O5' | 102.8° | 109.5° |
| C4' | C5' | H5' | 111.1° | 109.5° |
| C4' | C5' | H5'' | 111.1° | 109.5° |
| C5' | C4' | H4' | 110.3° | 110.4° |
| C5' | O5' | P1 | 123.5° | 123.0° |
| O5' | C5' | H5' | 111.1° | 109.4° |
| O5' | C5' | H5'' | 111.1° | 109.5° |
| O5' | P1 | O1 | 103.0° | 109.5° |
| O5' | P1 | O2 | 100.9° | 109.5° |
| O5' | P1 | N10 | 104.3° | 109.5° |
| O1 | P1 | O2 | 116.6° | 109.5° |
| O1 | P1 | N10 | 113.6° | 109.5° |
| O2 | P1 | N10 | 115.6° | 109.4° |
| P1 | O2 | H2 | 109.5° | 114.0° |
| P1 | N10 | C11 | 124.6° | 126.5° |
| P1 | N10 | C14 | 129.2° | 126.5° |
| C11 | N10 | C14 | 106.2° | 107.0° |
| N10 | C11 | C12 | 108.6° | 106.9° |
| N10 | C11 | H11 | 125.7° | 126.5° |
| N10 | C14 | N13 | 110.2° | 108.4° |
| N10 | C14 | N14 | 126.1° | 125.8° |
| C11 | C12 | N13 | 108.3° | 108.3° |
| C12 | C11 | H11 | 125.7° | 126.6° |
| C11 | C12 | H12 | 125.9° | 125.9° |
| C12 | N13 | C14 | 106.7° | 109.3° |
| N13 | C12 | H12 | 125.9° | 125.8° |
| N13 | C14 | N14 | 123.7° | 125.8° |
| C14 | N14 | H141 | 109.5° | 120.0° |
| C14 | N14 | H142 | 109.5° | 120.0° |
| H2' | C2' | H2'' | 109.4° | 110.4° |
| H5' | C5' | H5'' | 109.4° | 109.5° |
| HN21 | N2 | HN22 | 120.0° | 120.0° |
| H141 | N14 | H142 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | N1 | C5 | 179.6° | 179.5° |
| O6 | C6 | N1 | C2 | 178.9° | 180.0° |
| O6 | C6 | C5 | C4 | 178.8° | 180.0° |
| O6 | C6 | C5 | N7 | 0.3° | 0.3° |
| O6 | C6 | N1 | H1 | 1.1° | 0.1° |
| C6 | N1 | C2 | H1 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 178.2° | 180.0° |
| C6 | N1 | C2 | N3 | 1.5° | 0.3° |
| N1 | C6 | C5 | C4 | 1.7° | 0.5° |
| N1 | C6 | C5 | N7 | 179.8° | 179.8° |
| C5 | C6 | N1 | C2 | 1.5° | 0.5° |
| C6 | C5 | C4 | N3 | 1.9° | 0.3° |
| C6 | C5 | C4 | N7 | 178.9° | 179.7° |
| C6 | C5 | C4 | N9 | 179.5° | 179.7° |
| C6 | C5 | N7 | C8 | 179.0° | 179.7° |
| C5 | C6 | N1 | H1 | 178.5° | 179.4° |
| N1 | C2 | N2 | N3 | 179.7° | 179.7° |
| N1 | C2 | N3 | C4 | 1.4° | 0.0° |
| N1 | C2 | N2 | HN21 | 179.6° | 0.0° |
| N1 | C2 | N2 | HN22 | 0.4° | 180.0° |
| N2 | C2 | N3 | C4 | 178.3° | 179.7° |
| N2 | C2 | N1 | H1 | 1.8° | 0.0° |
| C2 | N2 | HN21 | HN22 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.6° | 0.0° |
| C2 | N3 | C4 | N9 | 180.0° | 180.0° |
| N3 | C2 | N1 | H1 | 178.5° | 179.7° |
| N3 | C2 | N2 | HN21 | 0.0° | 179.7° |
| N3 | C2 | N2 | HN22 | 180.0° | 0.3° |
| N3 | C4 | C5 | N9 | 178.7° | 180.0° |
| N3 | C4 | C5 | N7 | 179.2° | 180.0° |
| N3 | C4 | N9 | C8 | 179.2° | 180.0° |
| N3 | C4 | N9 | C1' | 1.5° | 0.1° |
| C4 | C5 | N7 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C8 | 0.6° | 0.0° |
| C5 | C4 | N9 | C1' | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.6° | 0.0° |
| C4 | N9 | C8 | N7 | 0.4° | 0.0° |
| C4 | N9 | C8 | C1' | 179.2° | 180.0° |
| C4 | N9 | C1' | O4' | 167.8° | 156.4° |
| C4 | N9 | C1' | C2' | 72.3° | 88.2° |
| C4 | N9 | C1' | H1' | 47.8° | 34.0° |
| C4 | N9 | C8 | H8 | 179.5° | 180.0° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 179.6° | 180.0° |
| C8 | N9 | C1' | O4' | 13.1° | 23.5° |
| C8 | N9 | C1' | C2' | 106.7° | 91.9° |
| C8 | N9 | C1' | H1' | 133.1° | 145.9° |
| N9 | C1' | O4' | C2' | 120.5° | 118.9° |
| N9 | C1' | O4' | H1' | 120.3° | 122.3° |
| N9 | C1' | C2' | H1' | 121.2° | 122.2° |
| N9 | C1' | O4' | C4' | 146.1° | 159.4° |
| N9 | C1' | C2' | C3' | 140.2° | 142.7° |
| N9 | C1' | C2' | H2' | 101.1° | 98.5° |
| N9 | C1' | C2' | H2'' | 21.5° | 24.0° |
| C1' | N9 | C8 | H8 | 0.4° | 0.0° |
| O4' | C1' | C2' | H1' | 120.0° | 118.9° |
| O4' | C1' | C2' | C3' | 21.4° | 23.9° |
| C1' | O4' | C4' | C3' | 18.6° | 40.6° |
| C1' | O4' | C4' | C5' | 136.3° | 159.4° |
| O4' | C1' | C2' | H2' | 140.1° | 142.6° |
| O4' | C1' | C2' | H2'' | 97.3° | 94.8° |
| C1' | O4' | C4' | H4' | 102.9° | 78.3° |
| C2' | C1' | O4' | C4' | 25.5° | 40.5° |
| C1' | C2' | C3' | H2' | 118.7° | 118.7° |
| C1' | C2' | C3' | H2'' | 118.7° | 118.7° |
| C1' | C2' | C3' | O3' | 106.6° | 118.7° |
| C1' | C2' | C3' | C4' | 9.5° | 0.1° |
| C1' | C2' | H2' | H2'' | 123.8° | 122.5° |
| C1' | C2' | C3' | H3' | 130.4° | 118.7° |
| O4' | C4' | C3' | C2' | 5.1° | 24.1° |
| O4' | C4' | C3' | O3' | 122.2° | 142.7° |
| O4' | C4' | C3' | C5' | 116.5° | 118.7° |
| O4' | C4' | C3' | H4' | 122.1° | 119.0° |
| O4' | C4' | C5' | H4' | 121.5° | 122.4° |
| O4' | C4' | C5' | O5' | 44.9° | 69.7° |
| C4' | O4' | C1' | H1' | 93.7° | 78.3° |
| O4' | C4' | C5' | H5' | 74.1° | 50.3° |
| O4' | C4' | C5' | H5'' | 163.8° | 170.3° |
| O4' | C4' | C3' | H3' | 115.7° | 94.6° |
| C2' | C3' | O3' | C4' | 117.0° | 114.5° |
| C2' | C3' | O3' | H3' | 121.9° | 122.7° |
| C2' | C3' | C4' | H3' | 120.8° | 118.7° |
| C2' | C3' | C4' | C5' | 121.6° | 142.8° |
| C3' | C2' | H2' | H2'' | 123.8° | 122.6° |
| C3' | C2' | C1' | H1' | 98.6° | 95.0° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | H4' | 117.0° | 94.8° |
| O3' | C3' | C4' | H3' | 122.1° | 122.7° |
| O3' | C3' | C4' | C5' | 121.4° | 98.6° |
| O3' | C3' | C2' | H2' | 12.1° | 0.0° |
| O3' | C3' | C2' | H2'' | 134.7° | 122.6° |
| O3' | C3' | C4' | H4' | 0.1° | 23.7° |
| C3' | C4' | C5' | H4' | 121.5° | 122.3° |
| C3' | C4' | C5' | O5' | 72.2° | 175.0° |
| C4' | C3' | C2' | H2' | 128.2° | 118.6° |
| C4' | C3' | C2' | H2'' | 109.2° | 118.8° |
| C3' | C4' | C5' | H5' | 168.9° | 65.0° |
| C3' | C4' | C5' | H5'' | 46.8° | 55.0° |
| C4' | C3' | O3' | HO3' | 63.0° | 175.9° |
| C4' | C5' | O5' | H5' | 118.9° | 120.0° |
| C4' | C5' | O5' | H5'' | 118.9° | 120.0° |
| C4' | C5' | O5' | P1 | 177.4° | 180.0° |
| C4' | C5' | H5' | H5'' | 123.1° | 120.0° |
| C5' | C4' | C3' | H3' | 0.8° | 24.1° |
| C5' | O5' | P1 | O1 | 163.0° | 55.0° |
| C5' | O5' | P1 | O2 | 42.1° | 65.0° |
| C5' | O5' | P1 | N10 | 78.1° | 175.0° |
| O5' | C5' | H5' | H5'' | 123.1° | 120.0° |
| O5' | C5' | C4' | H4' | 166.4° | 52.7° |
| O5' | P1 | O1 | O2 | 109.5° | 120.0° |
| O5' | P1 | O1 | N10 | 112.2° | 120.0° |
| O5' | P1 | O2 | N10 | 111.8° | 120.0° |
| O5' | P1 | N10 | C11 | 111.1° | 89.9° |
| O5' | P1 | N10 | C14 | 70.6° | 90.0° |
| P1 | O5' | C5' | H5' | 63.6° | 60.0° |
| P1 | O5' | C5' | H5'' | 58.5° | 60.0° |
| O5' | P1 | O2 | H2 | 110.7° | 59.9° |
| O1 | P1 | O2 | N10 | 137.5° | 120.0° |
| O1 | P1 | N10 | C11 | 137.5° | 150.0° |
| O1 | P1 | N10 | C14 | 40.8° | 30.0° |
| O1 | P1 | O2 | H2 | 0.0° | 180.0° |
| O2 | P1 | N10 | C11 | 1.3° | 30.1° |
| O2 | P1 | N10 | C14 | 179.6° | 150.0° |
| P1 | N10 | C11 | C14 | 178.7° | 179.9° |
| P1 | N10 | C11 | C12 | 178.9° | 180.0° |
| P1 | N10 | C14 | N13 | 179.2° | 179.8° |
| P1 | N10 | C14 | N14 | 0.8° | 0.0° |
| P1 | N10 | C11 | H11 | 1.1° | 0.2° |
| N10 | P1 | O2 | H2 | 137.5° | 60.0° |
| N10 | C11 | C12 | H11 | 180.0° | 179.7° |
| N10 | C11 | C12 | N13 | 0.2° | 0.2° |
| C11 | N10 | C14 | N13 | 0.6° | 0.3° |
| C11 | N10 | C14 | N14 | 179.4° | 180.0° |
| N10 | C11 | C12 | H12 | 179.8° | 179.7° |
| C14 | N10 | C11 | C12 | 0.2° | 0.0° |
| N10 | C14 | N13 | C12 | 0.7° | 0.4° |
| N10 | C14 | N13 | N14 | 180.0° | 179.8° |
| C14 | N10 | C11 | H11 | 179.7° | 179.7° |
| N10 | C14 | N14 | H141 | 180.0° | 0.1° |
| N10 | C14 | N14 | H142 | 60.0° | 180.0° |
| C11 | C12 | N13 | H12 | 180.0° | 179.9° |
| C11 | C12 | N13 | C14 | 0.6° | 0.4° |
| C12 | N13 | C14 | N14 | 179.3° | 179.8° |
| N13 | C12 | C11 | H11 | 179.8° | 179.9° |
| C14 | N13 | C12 | H12 | 179.5° | 179.6° |
| N13 | C14 | N14 | H141 | 0.0° | 179.7° |
| N13 | C14 | N14 | H142 | 120.0° | 0.3° |
| C14 | N14 | H141 | H142 | 120.0° | 179.9° |
| H2' | C2' | C1' | H1' | 20.1° | 23.7° |
| H2' | C2' | C3' | H3' | 110.9° | 122.6° |
| H2'' | C2' | C1' | H1' | 142.7° | 146.2° |
| H2'' | C2' | C3' | H3' | 11.7° | 0.0° |
| H5' | C5' | C4' | H4' | 47.4° | 172.7° |
| H5'' | C5' | C4' | H4' | 74.7° | 67.3° |
| H11 | C11 | C12 | H12 | 0.2° | 0.0° |
| H3' | C3' | O3' | HO3' | 58.2° | 61.2° |
| H3' | C3' | C4' | H4' | 122.2° | 146.5° |






