UUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C6 | doub | 1.22Å | 1.24Å | |
| N2 | C6 | sing | 1.35Å | 1.38Å | |
| N2 | C7 | sing | 1.35Å | 1.36Å | |
| C6 | N1 | sing | 1.35Å | 1.39Å | |
| O5 | C7 | doub | 1.22Å | 1.23Å | |
| C7 | C8 | sing | 1.42Å | 1.44Å | |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| N1 | C9 | sing | 1.37Å | 1.38Å | |
| O4 | C3 | sing | 1.43Å | 1.44Å | |
| C4 | C3 | sing | 1.55Å | 1.55Å | |
| C4 | O1 | sing | 1.44Å | 1.41Å | |
| O3 | C2 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | doub | 1.35Å | 1.34Å | |
| C3 | C2 | sing | 1.55Å | 1.52Å | |
| O1 | C1 | sing | 1.44Å | 1.44Å | |
| C2 | C1 | sing | 1.54Å | 1.53Å | |
| C1 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | O2 | doub | 1.21Å | 1.22Å | |
| C5 | O8 | sing | 1.34Å | 1.32Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| O8 | H3 | sing | 0.97Å | 0.95Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| O3 | H6 | sing | 0.97Å | 0.95Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | N2 | 121.6° | 119.6° |
| O6 | C6 | N1 | 123.2° | 119.5° |
| C6 | N2 | C7 | 127.2° | 120.3° |
| N2 | C6 | N1 | 115.2° | 121.0° |
| C6 | N2 | H10 | 116.4° | 119.9° |
| N2 | C7 | O5 | 119.6° | 120.3° |
| N2 | C7 | C8 | 114.6° | 119.4° |
| C7 | N2 | H10 | 116.4° | 119.8° |
| C6 | N1 | C4 | 119.1° | 119.7° |
| C6 | N1 | C9 | 121.1° | 120.6° |
| O5 | C7 | C8 | 125.1° | 120.3° |
| C7 | C8 | C9 | 120.3° | 119.1° |
| C7 | C8 | H2 | 119.9° | 120.5° |
| C4 | N1 | C9 | 119.7° | 119.7° |
| N1 | C4 | C3 | 115.6° | 110.6° |
| N1 | C4 | O1 | 108.7° | 110.6° |
| N1 | C4 | H1 | 108.5° | 110.6° |
| N1 | C9 | C8 | 121.7° | 119.7° |
| N1 | C9 | H9 | 119.2° | 120.2° |
| O4 | C3 | C4 | 112.0° | 110.9° |
| O4 | C3 | C2 | 116.1° | 110.9° |
| O4 | C3 | H7 | 110.6° | 110.8° |
| C3 | O4 | H8 | 109.5° | 114.0° |
| C3 | C4 | O1 | 107.4° | 103.5° |
| C4 | C3 | C2 | 98.9° | 102.0° |
| C3 | C4 | H1 | 107.4° | 110.6° |
| C4 | C3 | H7 | 109.1° | 110.9° |
| C4 | O1 | C1 | 110.3° | 106.9° |
| O1 | C4 | H1 | 109.1° | 110.7° |
| O3 | C2 | C3 | 111.3° | 110.6° |
| O3 | C2 | C1 | 112.7° | 110.5° |
| O3 | C2 | H5 | 110.5° | 110.4° |
| C2 | O3 | H6 | 109.5° | 114.0° |
| C9 | C8 | H2 | 119.8° | 120.4° |
| C8 | C9 | H9 | 119.2° | 120.2° |
| C3 | C2 | C1 | 103.9° | 104.2° |
| C3 | C2 | H5 | 109.2° | 110.5° |
| C2 | C3 | H7 | 109.5° | 110.9° |
| O1 | C1 | C2 | 104.4° | 107.3° |
| O1 | C1 | C5 | 111.9° | 109.8° |
| O1 | C1 | H4 | 110.1° | 110.0° |
| C2 | C1 | C5 | 112.5° | 109.9° |
| C2 | C1 | H4 | 108.9° | 109.9° |
| C1 | C2 | H5 | 109.0° | 110.5° |
| C1 | C5 | O2 | 120.5° | 120.0° |
| C1 | C5 | O8 | 113.9° | 120.0° |
| C5 | C1 | H4 | 108.9° | 109.9° |
| O2 | C5 | O8 | 125.6° | 120.0° |
| C5 | O8 | H3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | N2 | N1 | 179.8° | 180.0° |
| O6 | C6 | N2 | C7 | 179.4° | 180.0° |
| O6 | C6 | N1 | C4 | 0.6° | 0.0° |
| O6 | C6 | N1 | C9 | 179.4° | 179.7° |
| O6 | C6 | N2 | H10 | 0.6° | 0.0° |
| C6 | N2 | C7 | H10 | 180.0° | 180.0° |
| C6 | N2 | C7 | O5 | 171.3° | 180.0° |
| C6 | N2 | C7 | C8 | 0.5° | 0.3° |
| N2 | C6 | N1 | C4 | 179.6° | 180.0° |
| N2 | C6 | N1 | C9 | 0.8° | 0.2° |
| C7 | N2 | C6 | N1 | 0.8° | 0.0° |
| N2 | C7 | O5 | C8 | 169.8° | 179.7° |
| N2 | C7 | C8 | C9 | 0.1° | 0.3° |
| N2 | C7 | C8 | H2 | 179.9° | 179.9° |
| C6 | N1 | C4 | C9 | 178.8° | 179.7° |
| C6 | N1 | C4 | C3 | 106.1° | 64.8° |
| C6 | N1 | C4 | O1 | 133.2° | 49.4° |
| C6 | N1 | C9 | C8 | 0.5° | 0.2° |
| C6 | N1 | C4 | H1 | 14.7° | 172.4° |
| C6 | N1 | C9 | H9 | 179.5° | 179.7° |
| N1 | C6 | N2 | H10 | 179.2° | 180.0° |
| O5 | C7 | C8 | C9 | 170.4° | 180.0° |
| O5 | C7 | C8 | H2 | 9.7° | 0.4° |
| O5 | C7 | N2 | H10 | 8.7° | 0.0° |
| C7 | C8 | C9 | N1 | 0.2° | 0.0° |
| C7 | C8 | C9 | H2 | 180.0° | 179.7° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C8 | C7 | N2 | H10 | 179.5° | 179.7° |
| N1 | C4 | C3 | O4 | 83.0° | 86.3° |
| N1 | C4 | C3 | O1 | 121.4° | 118.5° |
| N1 | C4 | C3 | H1 | 121.3° | 122.9° |
| N1 | C4 | O1 | H1 | 118.1° | 122.9° |
| C4 | N1 | C9 | C8 | 179.3° | 180.0° |
| N1 | C4 | C3 | C2 | 154.2° | 155.5° |
| N1 | C4 | O1 | C1 | 140.1° | 158.6° |
| N1 | C4 | C3 | H7 | 39.9° | 37.4° |
| C4 | N1 | C9 | H9 | 0.7° | 0.0° |
| C9 | N1 | C4 | C3 | 72.8° | 115.0° |
| C9 | N1 | C4 | O1 | 48.0° | 130.9° |
| N1 | C9 | C8 | H9 | 180.0° | 180.0° |
| C9 | N1 | C4 | H1 | 166.5° | 7.9° |
| N1 | C9 | C8 | H2 | 179.8° | 179.7° |
| O4 | C3 | C4 | C2 | 122.9° | 118.2° |
| O4 | C3 | C4 | H7 | 122.8° | 123.6° |
| O4 | C3 | C4 | O1 | 155.6° | 155.2° |
| O4 | C3 | C2 | O3 | 36.2° | 20.3° |
| O4 | C3 | C2 | H7 | 126.1° | 123.6° |
| O4 | C3 | C2 | C1 | 157.7° | 139.1° |
| O4 | C3 | C4 | H1 | 38.3° | 36.6° |
| O4 | C3 | C2 | H5 | 86.0° | 102.2° |
| C3 | C4 | O1 | H1 | 116.1° | 118.6° |
| C4 | C3 | C2 | O3 | 83.6° | 97.9° |
| C4 | C3 | C2 | H7 | 114.0° | 118.2° |
| C3 | C4 | O1 | C1 | 14.4° | 40.1° |
| C4 | C3 | C2 | C1 | 37.9° | 20.9° |
| C4 | C3 | C2 | H5 | 154.1° | 139.6° |
| C4 | C3 | O4 | H8 | 180.0° | 180.0° |
| O1 | C4 | C3 | C2 | 32.7° | 37.0° |
| C4 | O1 | C1 | C2 | 10.4° | 26.5° |
| C4 | O1 | C1 | C5 | 111.5° | 146.0° |
| C4 | O1 | C1 | H4 | 127.1° | 93.0° |
| O1 | C4 | C3 | H7 | 81.6° | 81.2° |
| O3 | C2 | C3 | C1 | 121.5° | 118.8° |
| O3 | C2 | C3 | H5 | 122.3° | 122.5° |
| O3 | C2 | C1 | O1 | 89.2° | 120.9° |
| O3 | C2 | C1 | H5 | 123.0° | 122.5° |
| O3 | C2 | C1 | C5 | 149.3° | 119.7° |
| O3 | C2 | C1 | H4 | 28.4° | 1.3° |
| O3 | C2 | C3 | H7 | 162.3° | 143.9° |
| C3 | C2 | C1 | O1 | 31.4° | 2.0° |
| C3 | C2 | C1 | H5 | 116.4° | 118.7° |
| C3 | C2 | C1 | C5 | 90.1° | 121.4° |
| C2 | C3 | C4 | H1 | 84.6° | 81.6° |
| C3 | C2 | C1 | H4 | 149.0° | 117.5° |
| C3 | C2 | O3 | H6 | 180.0° | 176.3° |
| C2 | C3 | O4 | H8 | 67.5° | 67.4° |
| O1 | C1 | C2 | C5 | 121.5° | 119.4° |
| O1 | C1 | C2 | H4 | 117.6° | 119.6° |
| O1 | C1 | C5 | H4 | 122.0° | 121.1° |
| O1 | C1 | C5 | O2 | 50.5° | 3.2° |
| O1 | C1 | C5 | O8 | 131.8° | 176.9° |
| C1 | O1 | C4 | H1 | 101.8° | 78.5° |
| O1 | C1 | C2 | H5 | 147.8° | 116.7° |
| C2 | C1 | C5 | H4 | 120.8° | 121.0° |
| C2 | C1 | C5 | O2 | 66.6° | 114.6° |
| C2 | C1 | C5 | O8 | 111.0° | 65.3° |
| C1 | C2 | O3 | H6 | 63.7° | 61.4° |
| C1 | C2 | C3 | H7 | 76.1° | 97.3° |
| C1 | C5 | O2 | O8 | 177.4° | 179.9° |
| C1 | C5 | O8 | H3 | 177.5° | 180.0° |
| C5 | C1 | C2 | H5 | 26.3° | 2.7° |
| O2 | C5 | O8 | H3 | 0.0° | 0.1° |
| O2 | C5 | C1 | H4 | 172.5° | 124.3° |
| O8 | C5 | C1 | H4 | 9.8° | 55.8° |
| H1 | C4 | C3 | H7 | 161.2° | 160.2° |
| H2 | C8 | C9 | H9 | 0.1° | 0.3° |
| H4 | C1 | C2 | H5 | 94.6° | 123.8° |
| H5 | C2 | O3 | H6 | 58.5° | 61.1° |
| H5 | C2 | C3 | H7 | 40.1° | 21.4° |
| H7 | C3 | O4 | H8 | 58.0° | 56.3° |
