CUU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.45Å | |
| C6 | N1 | doub | 1.33Å | 1.32Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.26Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.28Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.45Å | |
| O2B | PB | sing | 1.61Å | 1.46Å | |
| O4' | C1' | sing | 1.44Å | 1.46Å | |
| O4' | C4' | sing | 1.44Å | 1.50Å | |
| C1' | C2' | sing | 1.54Å | 1.48Å | |
| PB | O3A | sing | 1.61Å | 1.64Å | |
| PB | O1B | doub | 1.48Å | 1.46Å | |
| PB | O3B | sing | 1.61Å | 1.46Å | |
| O3A | PA | sing | 1.61Å | 1.65Å | |
| O5' | C5' | sing | 1.43Å | 1.40Å | |
| O5' | PA | sing | 1.61Å | 1.65Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C4' | C3' | sing | 1.54Å | 1.50Å | |
| PA | O1A | doub | 1.48Å | 1.46Å | |
| PA | O2A | sing | 1.61Å | 1.46Å | |
| C2' | C3' | sing | 1.54Å | 1.46Å | |
| C2' | O2' | sing | 1.43Å | 1.46Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O2A | H2 | sing | 0.97Å | 0.95Å | |
| O3B | H4 | sing | 0.97Å | 0.95Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| N6 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| O2B | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 120.1° | 120.8° |
| N6 | C6 | C5 | 120.7° | 120.8° |
| C6 | N6 | H14 | 109.5° | 120.0° |
| C6 | N6 | H15 | 109.4° | 120.0° |
| N1 | C6 | C5 | 119.1° | 118.4° |
| C6 | N1 | C2 | 121.5° | 121.2° |
| C6 | C5 | N7 | 136.9° | 134.7° |
| C6 | C5 | C4 | 118.1° | 118.2° |
| N1 | C2 | N3 | 121.8° | 122.4° |
| N1 | C2 | H13 | 119.1° | 118.8° |
| C5 | N7 | C8 | 107.4° | 109.5° |
| N7 | C5 | C4 | 105.1° | 107.1° |
| N7 | C8 | N9 | 107.9° | 109.9° |
| N7 | C8 | H1 | 126.0° | 125.0° |
| C5 | C4 | N3 | 118.7° | 119.1° |
| C5 | C4 | N9 | 103.8° | 106.0° |
| C2 | N3 | C4 | 120.8° | 120.7° |
| N3 | C2 | H13 | 119.1° | 118.8° |
| C8 | N9 | C4 | 115.8° | 107.5° |
| C8 | N9 | C1' | 122.1° | 126.2° |
| N9 | C8 | H1 | 126.1° | 125.0° |
| N3 | C4 | N9 | 137.5° | 134.9° |
| C4 | N9 | C1' | 122.1° | 126.3° |
| N9 | C1' | O4' | 111.6° | 110.5° |
| N9 | C1' | C2' | 111.2° | 110.4° |
| N9 | C1' | H12 | 109.3° | 110.3° |
| O2B | PB | O3A | 113.3° | 109.5° |
| O2B | PB | O1B | 104.6° | 109.4° |
| O2B | PB | O3B | 105.7° | 109.5° |
| PB | O2B | H3 | 109.5° | 114.0° |
| C1' | O4' | C4' | 104.3° | 105.3° |
| O4' | C1' | C2' | 106.9° | 104.8° |
| O4' | C1' | H12 | 109.1° | 110.4° |
| O4' | C4' | C5' | 110.9° | 110.4° |
| O4' | C4' | C3' | 108.9° | 104.8° |
| O4' | C4' | H7 | 108.6° | 110.5° |
| C1' | C2' | C3' | 105.8° | 104.0° |
| C1' | C2' | O2' | 111.5° | 110.5° |
| C1' | C2' | H10 | 109.2° | 110.6° |
| C2' | C1' | H12 | 108.8° | 110.4° |
| O3A | PB | O1B | 114.1° | 109.5° |
| O3A | PB | O3B | 114.3° | 109.5° |
| PB | O3A | PA | 124.4° | 134.0° |
| O1B | PB | O3B | 103.8° | 109.5° |
| PB | O3B | H4 | 109.5° | 114.1° |
| O3A | PA | O5' | 109.3° | 109.5° |
| O3A | PA | O1A | 112.5° | 109.4° |
| O3A | PA | O2A | 109.9° | 109.5° |
| C5' | O5' | PA | 120.5° | 123.0° |
| O5' | C5' | C4' | 111.1° | 109.5° |
| O5' | C5' | H5 | 109.0° | 109.5° |
| O5' | C5' | H6 | 109.0° | 109.5° |
| O5' | PA | O1A | 111.0° | 109.5° |
| O5' | PA | O2A | 112.5° | 109.5° |
| C5' | C4' | C3' | 111.1° | 110.4° |
| C4' | C5' | H5 | 109.1° | 109.4° |
| C4' | C5' | H6 | 109.1° | 109.5° |
| C5' | C4' | H7 | 108.7° | 110.3° |
| C4' | C3' | C2' | 103.2° | 104.1° |
| C3' | C4' | H7 | 108.6° | 110.4° |
| C4' | C3' | H8 | 111.0° | 110.5° |
| C4' | C3' | H9 | 111.0° | 110.5° |
| O1A | PA | O2A | 101.5° | 109.4° |
| PA | O2A | H2 | 109.5° | 113.9° |
| C3' | C2' | O2' | 111.1° | 110.6° |
| C2' | C3' | H8 | 111.0° | 110.5° |
| C2' | C3' | H9 | 111.0° | 110.6° |
| C3' | C2' | H10 | 109.6° | 110.5° |
| O2' | C2' | H10 | 109.6° | 110.5° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| H5 | C5' | H6 | 109.5° | 109.5° |
| H8 | C3' | H9 | 109.5° | 110.4° |
| H14 | N6 | H15 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 179.8° | 180.0° |
| N6 | C6 | N1 | C2 | 179.2° | 180.0° |
| N6 | C6 | C5 | N7 | 0.7° | 0.1° |
| N6 | C6 | C5 | C4 | 179.4° | 180.0° |
| C6 | N6 | H14 | H15 | 120.0° | 180.0° |
| N1 | C6 | C5 | N7 | 179.5° | 180.0° |
| N1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C6 | N1 | C2 | N3 | 0.5° | 0.0° |
| C6 | N1 | C2 | H13 | 179.5° | 180.0° |
| N1 | C6 | N6 | H14 | 0.0° | 0.0° |
| N1 | C6 | N6 | H15 | 120.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.6° | 0.0° |
| C6 | C5 | N7 | C4 | 179.9° | 179.9° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.0° | 0.1° |
| C6 | C5 | C4 | N9 | 179.9° | 180.0° |
| C5 | C6 | N6 | H14 | 179.8° | 180.0° |
| C5 | C6 | N6 | H15 | 60.2° | 0.1° |
| N1 | C2 | N3 | H13 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.1° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| N7 | C5 | C4 | N3 | 179.9° | 180.0° |
| N7 | C5 | C4 | N9 | 0.0° | 0.1° |
| C5 | N7 | C8 | H1 | 179.8° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.1° |
| N7 | C8 | N9 | H1 | 180.0° | 179.9° |
| N7 | C8 | N9 | C4 | 0.2° | 0.0° |
| N7 | C8 | N9 | C1' | 179.7° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C5 | C4 | N9 | C8 | 0.1° | 0.1° |
| C5 | C4 | N3 | N9 | 179.8° | 179.8° |
| C5 | C4 | N9 | C1' | 179.8° | 180.0° |
| C2 | N3 | C4 | N9 | 179.7° | 179.9° |
| C8 | N9 | C4 | N3 | 179.8° | 179.9° |
| C8 | N9 | C4 | C1' | 179.9° | 180.0° |
| C8 | N9 | C1' | O4' | 45.8° | 20.4° |
| C8 | N9 | C1' | C2' | 73.4° | 95.0° |
| C8 | N9 | C1' | H12 | 166.5° | 142.7° |
| N3 | C4 | N9 | C1' | 0.4° | 0.1° |
| C4 | N3 | C2 | H13 | 179.9° | 179.9° |
| C4 | N9 | C1' | O4' | 134.3° | 159.5° |
| C4 | N9 | C1' | C2' | 106.4° | 85.0° |
| C4 | N9 | C8 | H1 | 179.8° | 179.9° |
| C4 | N9 | C1' | H12 | 13.6° | 37.2° |
| N9 | C1' | O4' | C2' | 121.8° | 118.9° |
| N9 | C1' | O4' | H12 | 120.8° | 122.2° |
| N9 | C1' | O4' | C4' | 141.7° | 159.4° |
| N9 | C1' | C2' | H12 | 120.3° | 122.2° |
| N9 | C1' | C2' | C3' | 155.2° | 142.9° |
| N9 | C1' | C2' | O2' | 83.8° | 98.4° |
| C1' | N9 | C8 | H1 | 0.3° | 0.0° |
| N9 | C1' | C2' | H10 | 37.4° | 24.2° |
| O2B | PB | O3A | O1B | 119.6° | 119.9° |
| O2B | PB | O3A | O3B | 121.1° | 120.0° |
| O2B | PB | O1B | O3B | 110.6° | 120.0° |
| O2B | PB | O3A | PA | 99.7° | 165.0° |
| O2B | PB | O3B | H4 | 109.8° | 60.0° |
| O4' | C1' | C2' | H12 | 117.6° | 118.8° |
| C1' | O4' | C4' | C5' | 122.8° | 159.3° |
| C1' | O4' | C4' | C3' | 0.3° | 40.5° |
| O4' | C1' | C2' | C3' | 33.2° | 24.0° |
| O4' | C1' | C2' | O2' | 154.1° | 142.6° |
| C1' | O4' | C4' | H7 | 117.7° | 78.4° |
| O4' | C1' | C2' | H10 | 84.7° | 94.7° |
| C4' | O4' | C1' | C2' | 19.9° | 40.5° |
| O4' | C4' | C5' | O5' | 50.0° | 69.6° |
| O4' | C4' | C5' | C3' | 121.2° | 115.4° |
| O4' | C4' | C5' | H7 | 119.4° | 122.4° |
| O4' | C4' | C3' | H7 | 118.1° | 118.9° |
| O4' | C4' | C3' | C2' | 19.4° | 24.0° |
| O4' | C4' | C5' | H5 | 170.2° | 50.4° |
| O4' | C4' | C5' | H6 | 70.2° | 170.3° |
| O4' | C4' | C3' | H8 | 138.4° | 94.7° |
| O4' | C4' | C3' | H9 | 99.6° | 142.8° |
| C4' | O4' | C1' | H12 | 97.5° | 78.4° |
| C1' | C2' | C3' | C4' | 31.5° | 0.0° |
| C1' | C2' | C3' | O2' | 121.1° | 118.6° |
| C1' | C2' | C3' | H10 | 117.6° | 118.8° |
| C1' | C2' | O2' | H10 | 121.0° | 122.7° |
| C1' | C2' | C3' | H8 | 150.4° | 118.7° |
| C1' | C2' | C3' | H9 | 87.5° | 118.7° |
| C1' | C2' | O2' | H11 | 180.0° | 176.1° |
| O3A | PB | O1B | O3B | 125.1° | 120.0° |
| PB | O3A | PA | O5' | 148.9° | 160.0° |
| PB | O3A | PA | O1A | 25.2° | 40.0° |
| PB | O3A | PA | O2A | 87.1° | 79.9° |
| O3A | PB | O3B | H4 | 124.9° | 60.0° |
| O3A | PB | O2B | H3 | 124.9° | 180.0° |
| O1B | PB | O3A | PA | 140.7° | 45.1° |
| O1B | PB | O3B | H4 | 0.0° | 180.0° |
| O1B | PB | O2B | H3 | 0.0° | 60.1° |
| O3B | PB | O3A | PA | 21.4° | 75.0° |
| O3B | PB | O2B | H3 | 109.2° | 60.0° |
| O3A | PA | O5' | C5' | 105.1° | 175.0° |
| O3A | PA | O5' | O1A | 124.7° | 120.0° |
| O3A | PA | O5' | O2A | 122.4° | 120.0° |
| O3A | PA | O1A | O2A | 117.4° | 120.0° |
| O3A | PA | O2A | H2 | 119.3° | 60.1° |
| O5' | C5' | C4' | H5 | 120.2° | 120.0° |
| O5' | C5' | C4' | H6 | 120.2° | 120.0° |
| O5' | C5' | C4' | C3' | 71.2° | 175.0° |
| C5' | O5' | PA | O1A | 130.2° | 55.0° |
| C5' | O5' | PA | O2A | 17.2° | 65.0° |
| O5' | C5' | H5 | H6 | 119.2° | 120.1° |
| O5' | C5' | C4' | H7 | 169.4° | 52.8° |
| PA | O5' | C5' | C4' | 128.6° | 180.0° |
| O5' | PA | O1A | O2A | 119.8° | 120.0° |
| O5' | PA | O2A | H2 | 118.7° | 60.0° |
| PA | O5' | C5' | H5 | 8.4° | 60.0° |
| PA | O5' | C5' | H6 | 111.2° | 60.0° |
| C5' | C4' | C3' | H7 | 119.5° | 122.2° |
| C5' | C4' | C3' | C2' | 103.0° | 142.8° |
| C4' | C5' | H5 | H6 | 119.3° | 120.0° |
| C5' | C4' | C3' | H8 | 16.0° | 24.1° |
| C5' | C4' | C3' | H9 | 138.0° | 98.4° |
| C4' | C3' | C2' | H8 | 119.0° | 118.7° |
| C4' | C3' | C2' | H9 | 119.0° | 118.7° |
| C4' | C3' | C2' | O2' | 152.6° | 118.6° |
| C3' | C4' | C5' | H5 | 49.0° | 65.0° |
| C3' | C4' | C5' | H6 | 168.5° | 55.0° |
| C4' | C3' | H8 | H9 | 122.9° | 122.6° |
| C4' | C3' | C2' | H10 | 86.2° | 118.8° |
| O1A | PA | O2A | H2 | 0.0° | 180.0° |
| C3' | C2' | O2' | H10 | 121.3° | 122.6° |
| C2' | C3' | C4' | H7 | 137.5° | 95.0° |
| C2' | C3' | H8 | H9 | 122.9° | 122.7° |
| C3' | C2' | O2' | H11 | 62.3° | 61.5° |
| C3' | C2' | C1' | H12 | 84.4° | 94.9° |
| O2' | C2' | C3' | H8 | 88.4° | 122.7° |
| O2' | C2' | C3' | H9 | 33.6° | 0.1° |
| O2' | C2' | C1' | H12 | 36.5° | 23.8° |
| H5 | C5' | C4' | H7 | 70.4° | 172.8° |
| H6 | C5' | C4' | H7 | 49.2° | 67.3° |
| H7 | C4' | C3' | H8 | 103.5° | 146.3° |
| H7 | C4' | C3' | H9 | 18.6° | 23.8° |
| H8 | C3' | C2' | H10 | 32.8° | 0.1° |
| H9 | C3' | C2' | H10 | 154.9° | 122.5° |
| H10 | C2' | O2' | H11 | 59.0° | 61.2° |
| H10 | C2' | C1' | H12 | 157.7° | 146.4° |
