U5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C8 | doub | 1.30Å | 1.29Å | |
| C8 | N4 | sing | 1.37Å | 1.35Å | |
| C8 | N6 | sing | 1.37Å | 1.35Å | |
| N4 | C7 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.54Å | 1.52Å | |
| C5 | C6 | sing | 1.55Å | 1.52Å | |
| N6 | C9 | sing | 1.48Å | 1.45Å | |
| C4 | N3 | sing | 1.47Å | 1.47Å | |
| C7 | C6 | sing | 1.54Å | 1.58Å | |
| C7 | N3 | sing | 1.46Å | 1.47Å | |
| C7 | C9 | sing | 1.52Å | 1.58Å | |
| N2 | C3 | doub | 1.30Å | 1.32Å | |
| N3 | C3 | sing | 1.37Å | 1.36Å | |
| C3 | N1 | sing | 1.38Å | 1.35Å | |
| C9 | C2 | sing | 1.52Å | 1.54Å | |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.45Å | 1.45Å | |
| O1 | C | sing | 1.35Å | 1.35Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| N5 | H15 | sing | 0.97Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C8 | N4 | 130.4° | 124.1° |
| N5 | C8 | N6 | 121.2° | 124.2° |
| C8 | N5 | H15 | 112.0° | 120.0° |
| N4 | C8 | N6 | 108.4° | 111.7° |
| C8 | N4 | C7 | 113.6° | 107.3° |
| C8 | N4 | H18 | 123.2° | 126.4° |
| C8 | N6 | C9 | 113.9° | 108.5° |
| C8 | N6 | H17 | 123.1° | 125.7° |
| N4 | C7 | C6 | 109.6° | 109.8° |
| N4 | C7 | N3 | 115.6° | 111.4° |
| N4 | C7 | C9 | 101.6° | 104.8° |
| C7 | N4 | H18 | 123.2° | 126.3° |
| C4 | C5 | C6 | 105.0° | 105.1° |
| C5 | C4 | N3 | 103.1° | 106.7° |
| C4 | C5 | H3 | 110.6° | 110.3° |
| C4 | C5 | H4 | 110.6° | 110.3° |
| C5 | C4 | H11 | 111.0° | 110.0° |
| C5 | C4 | H12 | 111.0° | 110.1° |
| C5 | C6 | C7 | 102.0° | 102.6° |
| C6 | C5 | H3 | 110.6° | 110.3° |
| C6 | C5 | H4 | 110.6° | 110.3° |
| C5 | C6 | H6 | 111.3° | 110.8° |
| C5 | C6 | H7 | 111.3° | 110.8° |
| N6 | C9 | C7 | 102.6° | 104.2° |
| N6 | C9 | C2 | 112.2° | 109.3° |
| N6 | C9 | H8 | 110.0° | 109.7° |
| C9 | N6 | H17 | 123.1° | 125.8° |
| C4 | N3 | C7 | 112.0° | 106.6° |
| C4 | N3 | C3 | 122.5° | 127.2° |
| N3 | C4 | H11 | 111.0° | 110.0° |
| N3 | C4 | H12 | 111.0° | 110.0° |
| C6 | C7 | N3 | 96.7° | 104.3° |
| C6 | C7 | C9 | 121.0° | 112.2° |
| C7 | C6 | H6 | 111.3° | 110.8° |
| C7 | C6 | H7 | 111.3° | 110.9° |
| N3 | C7 | C9 | 113.2° | 114.4° |
| C7 | N3 | C3 | 118.8° | 126.1° |
| C7 | C9 | C2 | 114.8° | 114.1° |
| C7 | C9 | H8 | 108.3° | 109.8° |
| N2 | C3 | N3 | 115.4° | 122.1° |
| N2 | C3 | N1 | 129.1° | 122.1° |
| C3 | N2 | H13 | 112.0° | 120.0° |
| N3 | C3 | N1 | 115.5° | 115.7° |
| C3 | N1 | C2 | 126.3° | 118.4° |
| C3 | N1 | H19 | 116.8° | 120.8° |
| C9 | C2 | N1 | 109.6° | 112.6° |
| C9 | C2 | C1 | 111.4° | 108.9° |
| C9 | C2 | H5 | 108.0° | 108.9° |
| C2 | C9 | H8 | 108.8° | 109.7° |
| N1 | C2 | C1 | 110.8° | 108.9° |
| N1 | C2 | H5 | 108.8° | 108.8° |
| C2 | N1 | H19 | 116.8° | 120.8° |
| C2 | C1 | O1 | 107.8° | 109.5° |
| C1 | C2 | H5 | 108.2° | 108.8° |
| C2 | C1 | H9 | 109.9° | 109.5° |
| C2 | C1 | H10 | 109.9° | 109.5° |
| C1 | O1 | C | 117.0° | 117.0° |
| O1 | C1 | H9 | 109.9° | 109.5° |
| O1 | C1 | H10 | 109.9° | 109.5° |
| O1 | C | O | 122.9° | 120.0° |
| O1 | C | N | 111.2° | 120.0° |
| O | C | N | 125.9° | 120.0° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H2 | 120.0° | 120.0° |
| H1 | N | H2 | 120.0° | 120.0° |
| H3 | C5 | H4 | 109.5° | 110.4° |
| H6 | C6 | H7 | 109.5° | 110.7° |
| H9 | C1 | H10 | 109.5° | 109.4° |
| H11 | C4 | H12 | 109.5° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C8 | N4 | N6 | 178.9° | 179.9° |
| N5 | C8 | N4 | C7 | 177.8° | 161.2° |
| N5 | C8 | N6 | C9 | 178.7° | 168.5° |
| N5 | C8 | N6 | H17 | 1.3° | 11.5° |
| N5 | C8 | N4 | H18 | 2.2° | 18.7° |
| C8 | N4 | C7 | H18 | 180.0° | 179.9° |
| N4 | C8 | N6 | C9 | 0.2° | 11.4° |
| C8 | N4 | C7 | C6 | 127.8° | 138.5° |
| C8 | N4 | C7 | N3 | 124.3° | 106.5° |
| C8 | N4 | C7 | C9 | 1.4° | 17.8° |
| N4 | C8 | N5 | H15 | 178.7° | 180.0° |
| N4 | C8 | N6 | H17 | 179.7° | 168.5° |
| N6 | C8 | N4 | C7 | 1.1° | 18.7° |
| C8 | N6 | C9 | H17 | 180.0° | 180.0° |
| C8 | N6 | C9 | C7 | 0.6° | 0.4° |
| C8 | N6 | C9 | C2 | 123.1° | 122.6° |
| C8 | N6 | C9 | H8 | 115.6° | 117.1° |
| N6 | C8 | N5 | H15 | 0.0° | 0.1° |
| N6 | C8 | N4 | H18 | 178.9° | 161.3° |
| N4 | C7 | C6 | C5 | 75.7° | 83.2° |
| N4 | C7 | C9 | N6 | 1.1° | 10.9° |
| N4 | C7 | N3 | C4 | 76.7° | 80.0° |
| N4 | C7 | C6 | N3 | 120.2° | 119.5° |
| N4 | C7 | C6 | C9 | 117.6° | 116.2° |
| N4 | C7 | N3 | C9 | 116.6° | 118.7° |
| N4 | C7 | N3 | C3 | 75.2° | 102.4° |
| N4 | C7 | C9 | C2 | 120.8° | 129.9° |
| N4 | C7 | C6 | H6 | 165.5° | 158.4° |
| N4 | C7 | C6 | H7 | 43.0° | 35.1° |
| N4 | C7 | C9 | H8 | 117.4° | 106.5° |
| C4 | C5 | C6 | H3 | 119.3° | 118.9° |
| C4 | C5 | C6 | H4 | 119.3° | 118.9° |
| C5 | C4 | N3 | H11 | 119.0° | 119.3° |
| C5 | C4 | N3 | H12 | 119.0° | 119.3° |
| C4 | C5 | C6 | C7 | 36.8° | 21.0° |
| C5 | C4 | N3 | C7 | 17.3° | 24.6° |
| C5 | C4 | N3 | C3 | 168.1° | 152.9° |
| C4 | C5 | H3 | H4 | 122.1° | 122.1° |
| C4 | C5 | C6 | H6 | 82.0° | 97.3° |
| C4 | C5 | C6 | H7 | 155.6° | 139.4° |
| C5 | C4 | H11 | H12 | 122.9° | 121.4° |
| C6 | C5 | C4 | N3 | 13.6° | 1.2° |
| C5 | C6 | C7 | H6 | 118.8° | 118.3° |
| C5 | C6 | C7 | H7 | 118.8° | 118.3° |
| C5 | C6 | C7 | N3 | 44.5° | 36.2° |
| C5 | C6 | C7 | C9 | 166.7° | 160.6° |
| C6 | C5 | H3 | H4 | 122.1° | 122.2° |
| C5 | C6 | H6 | H7 | 123.5° | 123.4° |
| C6 | C5 | C4 | H11 | 132.6° | 118.1° |
| C6 | C5 | C4 | H12 | 105.4° | 120.4° |
| N6 | C9 | C7 | C6 | 120.4° | 130.0° |
| N6 | C9 | C7 | N3 | 125.7° | 111.5° |
| N6 | C9 | C7 | C2 | 122.0° | 119.1° |
| N6 | C9 | C7 | H8 | 116.2° | 117.4° |
| N6 | C9 | C2 | H8 | 121.9° | 120.2° |
| N6 | C9 | C2 | N1 | 87.4° | 78.1° |
| N6 | C9 | C2 | C1 | 149.7° | 161.1° |
| N6 | C9 | C2 | H5 | 31.0° | 42.6° |
| C4 | N3 | C7 | C6 | 38.7° | 38.3° |
| C4 | N3 | C7 | C3 | 152.0° | 177.5° |
| C4 | N3 | C7 | C9 | 166.7° | 161.2° |
| C4 | N3 | C3 | N2 | 9.2° | 9.4° |
| C4 | N3 | C3 | N1 | 170.8° | 170.6° |
| N3 | C4 | C5 | H3 | 132.9° | 120.1° |
| N3 | C4 | C5 | H4 | 105.7° | 117.7° |
| N3 | C4 | H11 | H12 | 123.0° | 121.3° |
| C6 | C7 | N3 | C9 | 128.0° | 122.9° |
| C6 | C7 | N3 | C3 | 169.3° | 139.2° |
| C6 | C7 | C9 | C2 | 117.6° | 110.9° |
| C7 | C6 | C5 | H3 | 156.1° | 97.9° |
| C7 | C6 | C5 | H4 | 82.5° | 139.8° |
| C7 | C6 | H6 | H7 | 123.5° | 123.5° |
| C6 | C7 | C9 | H8 | 4.2° | 12.6° |
| C6 | C7 | N4 | H18 | 52.2° | 41.6° |
| C7 | N3 | C3 | N2 | 139.7° | 173.5° |
| C7 | N3 | C3 | N1 | 40.3° | 6.5° |
| N3 | C7 | C9 | C2 | 3.7° | 7.6° |
| N3 | C7 | C6 | H6 | 74.3° | 82.1° |
| N3 | C7 | C6 | H7 | 163.2° | 154.6° |
| N3 | C7 | C9 | H8 | 118.1° | 131.1° |
| C7 | N3 | C4 | H11 | 101.7° | 94.7° |
| C7 | N3 | C4 | H12 | 136.2° | 143.9° |
| N3 | C7 | N4 | H18 | 55.7° | 73.5° |
| C9 | C7 | N3 | C3 | 41.3° | 16.3° |
| C7 | C9 | C2 | H8 | 121.5° | 123.6° |
| C7 | C9 | C2 | N1 | 29.2° | 38.1° |
| C7 | C9 | C2 | C1 | 93.7° | 82.8° |
| C7 | C9 | C2 | H5 | 147.6° | 158.7° |
| C9 | C7 | C6 | H6 | 47.9° | 42.3° |
| C9 | C7 | C6 | H7 | 74.6° | 81.1° |
| C7 | C9 | N6 | H17 | 179.4° | 179.7° |
| C9 | C7 | N4 | H18 | 178.6° | 162.3° |
| N2 | C3 | N3 | N1 | 180.0° | 180.0° |
| N2 | C3 | N1 | C2 | 178.7° | 151.2° |
| N2 | C3 | N1 | H19 | 1.3° | 28.7° |
| N3 | C3 | N1 | C2 | 1.2° | 28.8° |
| C3 | N3 | C4 | H11 | 49.1° | 87.8° |
| C3 | N3 | C4 | H12 | 73.0° | 33.6° |
| N3 | C3 | N2 | H13 | 179.9° | 180.0° |
| N3 | C3 | N1 | H19 | 178.8° | 151.3° |
| C3 | N1 | C2 | C9 | 35.6° | 51.3° |
| C3 | N1 | C2 | H19 | 180.0° | 179.9° |
| C3 | N1 | C2 | C1 | 87.7° | 69.6° |
| C3 | N1 | C2 | H5 | 153.4° | 172.0° |
| N1 | C3 | N2 | H13 | 0.0° | 0.0° |
| C9 | C2 | N1 | C1 | 123.3° | 120.8° |
| C9 | C2 | N1 | H5 | 117.8° | 120.7° |
| C9 | C2 | C1 | H5 | 118.6° | 118.5° |
| C9 | C2 | C1 | O1 | 154.9° | 173.5° |
| C9 | C2 | C1 | H9 | 35.1° | 66.5° |
| C9 | C2 | C1 | H10 | 85.4° | 53.5° |
| C2 | C9 | N6 | H17 | 56.8° | 57.4° |
| C9 | C2 | N1 | H19 | 144.4° | 128.8° |
| N1 | C2 | C1 | H5 | 119.2° | 118.4° |
| N1 | C2 | C1 | O1 | 32.6° | 63.4° |
| N1 | C2 | C9 | H8 | 150.7° | 161.7° |
| N1 | C2 | C1 | H9 | 87.1° | 56.6° |
| N1 | C2 | C1 | H10 | 152.4° | 176.5° |
| C2 | C1 | O1 | H9 | 119.7° | 120.0° |
| C2 | C1 | O1 | H10 | 119.7° | 120.1° |
| C2 | C1 | O1 | C | 86.3° | 180.0° |
| C1 | C2 | C9 | H8 | 27.8° | 40.8° |
| C2 | C1 | H9 | H10 | 120.7° | 120.0° |
| C1 | C2 | N1 | H19 | 92.3° | 110.3° |
| C1 | O1 | C | O | 6.6° | 0.0° |
| C1 | O1 | C | N | 173.0° | 180.0° |
| O1 | C1 | C2 | H5 | 86.6° | 55.0° |
| O1 | C1 | H9 | H10 | 120.8° | 120.0° |
| O1 | C | O | N | 179.5° | 180.0° |
| O1 | C | N | H1 | 179.6° | 179.9° |
| O1 | C | N | H2 | 0.4° | 0.3° |
| C | O1 | C1 | H9 | 154.0° | 60.0° |
| C | O1 | C1 | H10 | 33.5° | 60.0° |
| O | C | N | H1 | 0.0° | 0.1° |
| O | C | N | H2 | 180.0° | 179.7° |
| C | N | H1 | H2 | 180.0° | 179.6° |
| H3 | C5 | C6 | H6 | 37.3° | 143.8° |
| H3 | C5 | C6 | H7 | 85.1° | 20.5° |
| H3 | C5 | C4 | H11 | 108.1° | 0.8° |
| H3 | C5 | C4 | H12 | 13.9° | 120.6° |
| H4 | C5 | C6 | H6 | 158.8° | 21.6° |
| H4 | C5 | C6 | H7 | 36.3° | 101.7° |
| H4 | C5 | C4 | H11 | 13.3° | 123.0° |
| H4 | C5 | C4 | H12 | 135.3° | 1.6° |
| H5 | C2 | C9 | H8 | 90.9° | 77.7° |
| H5 | C2 | C1 | H9 | 153.7° | 175.0° |
| H5 | C2 | C1 | H10 | 33.2° | 65.1° |
| H5 | C2 | N1 | H19 | 26.6° | 8.1° |
| H8 | C9 | N6 | H17 | 64.4° | 62.9° |
