U33
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.39Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| C2 | N3 | sing | 1.34Å | 1.37Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C4 | sing | 1.35Å | 1.39Å | |
| N3 | H3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.42Å | 1.44Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | doub | 1.35Å | 1.33Å | |
| C5 | BR | sing | 1.89Å | 1.81Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.54Å | 1.66Å | |
| C1' | O4' | sing | 1.44Å | 1.51Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C3' | C4' | sing | 1.55Å | 1.65Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.46Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O3' | HA | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.49Å | |
| C5' | H5'1 | sing | 1.09Å | 1.11Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.3° | 120.7° |
| C2 | N1 | C1' | 118.5° | 119.7° |
| N1 | C2 | N3 | 115.4° | 120.9° |
| N1 | C2 | O2 | 123.0° | 119.5° |
| C6 | N1 | C1' | 121.1° | 119.7° |
| N1 | C6 | C5 | 123.7° | 119.7° |
| N1 | C6 | H6 | 118.2° | 120.2° |
| N1 | C1' | C2' | 109.8° | 110.0° |
| N1 | C1' | O4' | 114.9° | 109.9° |
| N1 | C1' | H1' | 106.9° | 109.9° |
| N3 | C2 | O2 | 121.5° | 119.6° |
| C2 | N3 | C4 | 126.5° | 120.3° |
| C2 | N3 | H3 | 116.7° | 119.9° |
| C4 | N3 | H3 | 116.8° | 119.8° |
| N3 | C4 | C5 | 114.9° | 119.3° |
| N3 | C4 | O4 | 120.7° | 120.3° |
| C5 | C4 | O4 | 124.4° | 120.3° |
| C4 | C5 | C6 | 119.1° | 119.1° |
| C4 | C5 | BR | 121.2° | 120.4° |
| C6 | C5 | BR | 119.7° | 120.5° |
| C5 | C6 | H6 | 118.1° | 120.1° |
| C2' | C1' | O4' | 111.1° | 107.3° |
| C2' | C1' | H1' | 106.9° | 109.8° |
| C1' | C2' | C3' | 98.8° | 104.2° |
| C1' | C2' | H2'1 | 116.3° | 110.5° |
| C1' | C2' | H2'2 | 116.3° | 110.5° |
| O4' | C1' | H1' | 106.9° | 109.9° |
| C1' | O4' | C4' | 104.7° | 107.0° |
| C3' | C2' | H2'1 | 116.3° | 110.3° |
| C3' | C2' | H2'2 | 116.3° | 110.6° |
| C2' | C3' | C4' | 103.8° | 102.0° |
| C2' | C3' | O3' | 114.9° | 110.9° |
| C2' | C3' | H3' | 109.4° | 110.9° |
| H2'1 | C2' | H2'2 | 94.1° | 110.5° |
| C4' | C3' | O3' | 109.9° | 111.2° |
| C4' | C3' | H3' | 109.4° | 110.7° |
| C3' | C4' | O4' | 110.0° | 103.6° |
| C3' | C4' | C5' | 114.5° | 110.7° |
| C3' | C4' | H4' | 106.7° | 110.6° |
| O3' | C3' | H3' | 109.3° | 110.8° |
| C3' | O3' | HA | 109.9° | 106.9° |
| O4' | C4' | C5' | 111.7° | 110.6° |
| O4' | C4' | H4' | 106.7° | 110.6° |
| C5' | C4' | H4' | 106.7° | 110.5° |
| C4' | C5' | O5' | 107.5° | 109.6° |
| C4' | C5' | H5'1 | 113.0° | 109.4° |
| C4' | C5' | H5'2 | 112.9° | 109.5° |
| O5' | C5' | H5'1 | 112.9° | 109.5° |
| O5' | C5' | H5'2 | 113.0° | 109.5° |
| C5' | O5' | H5' | 107.5° | 106.8° |
| H5'1 | C5' | H5'2 | 97.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 177.1° | 179.7° |
| N1 | C2 | N3 | O2 | 177.9° | 179.4° |
| N1 | C2 | N3 | C4 | 0.2° | 0.7° |
| N1 | C2 | N3 | H3 | 179.8° | 179.7° |
| C2 | N1 | C6 | C5 | 2.5° | 0.3° |
| C2 | N1 | C6 | H6 | 177.5° | 179.7° |
| C2 | N1 | C1' | C2' | 93.8° | 59.7° |
| C2 | N1 | C1' | O4' | 140.2° | 58.2° |
| C2 | N1 | C1' | H1' | 21.8° | 179.3° |
| C6 | N1 | C2 | N3 | 1.9° | 0.6° |
| C6 | N1 | C2 | O2 | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 1.2° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | BR | 177.5° | 180.0° |
| C6 | N1 | C1' | C2' | 83.4° | 120.6° |
| C6 | N1 | C1' | O4' | 42.7° | 121.5° |
| C6 | N1 | C1' | H1' | 161.0° | 0.4° |
| C1' | N1 | C2 | N3 | 179.1° | 179.7° |
| C1' | N1 | C2 | O2 | 3.1° | 0.3° |
| C1' | N1 | C6 | C5 | 179.6° | 180.0° |
| C1' | N1 | C6 | H6 | 0.4° | 0.0° |
| N1 | C1' | C2' | O4' | 128.2° | 119.5° |
| N1 | C1' | C2' | H1' | 115.6° | 121.1° |
| N1 | C1' | O4' | H1' | 118.3° | 121.0° |
| N1 | C1' | C2' | C3' | 158.2° | 121.7° |
| N1 | C1' | C2' | H2'1 | 76.5° | 119.8° |
| N1 | C1' | C2' | H2'2 | 33.0° | 2.9° |
| N1 | C1' | O4' | C4' | 138.5° | 146.1° |
| C2 | N3 | C4 | H3 | 180.0° | 179.6° |
| C2 | N3 | C4 | C5 | 1.0° | 0.4° |
| C2 | N3 | C4 | O4 | 179.6° | 179.7° |
| O2 | C2 | N3 | C4 | 178.0° | 180.0° |
| O2 | C2 | N3 | H3 | 1.9° | 0.3° |
| N3 | C4 | C5 | O4 | 179.4° | 179.9° |
| N3 | C4 | C5 | C6 | 0.5° | 0.1° |
| N3 | C4 | C5 | BR | 179.2° | 180.0° |
| H3 | N3 | C4 | C5 | 179.0° | 180.0° |
| H3 | N3 | C4 | O4 | 0.4° | 0.0° |
| C4 | C5 | C6 | BR | 178.7° | 179.9° |
| C4 | C5 | C6 | H6 | 178.8° | 180.0° |
| O4 | C4 | C5 | C6 | 179.9° | 180.0° |
| O4 | C4 | C5 | BR | 1.4° | 0.1° |
| BR | C5 | C6 | H6 | 2.5° | 0.1° |
| C2' | C1' | O4' | H1' | 116.3° | 119.4° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.7° |
| C1' | C2' | C3' | H2'2 | 125.3° | 118.8° |
| C1' | C2' | H2'1 | H2'2 | 122.1° | 122.6° |
| C1' | C2' | C3' | C4' | 32.0° | 20.6° |
| C1' | C2' | C3' | O3' | 88.1° | 139.2° |
| C1' | C2' | C3' | H3' | 148.6° | 97.3° |
| C2' | C1' | O4' | C4' | 13.1° | 26.5° |
| O4' | C1' | C2' | C3' | 30.1° | 2.2° |
| O4' | C1' | C2' | H2'1 | 155.3° | 120.7° |
| O4' | C1' | C2' | H2'2 | 95.2° | 116.6° |
| C1' | O4' | C4' | C3' | 8.5° | 40.0° |
| C1' | O4' | C4' | C5' | 119.9° | 158.6° |
| C1' | O4' | C4' | H4' | 123.9° | 78.6° |
| H1' | C1' | C2' | C3' | 86.2° | 117.2° |
| H1' | C1' | C2' | H2'1 | 39.1° | 1.3° |
| H1' | C1' | C2' | H2'2 | 148.6° | 123.9° |
| H1' | C1' | O4' | C4' | 103.1° | 92.9° |
| C3' | C2' | H2'1 | H2'2 | 122.1° | 122.6° |
| C2' | C3' | C4' | O3' | 123.3° | 118.3° |
| C2' | C3' | C4' | H3' | 116.6° | 118.0° |
| C2' | C3' | O3' | H3' | 123.4° | 123.6° |
| C2' | C3' | C4' | O4' | 28.3° | 36.8° |
| C2' | C3' | C4' | C5' | 98.4° | 155.4° |
| C2' | C3' | C4' | H4' | 143.7° | 81.8° |
| C2' | C3' | O3' | HA | 63.4° | 61.4° |
| H2'1 | C2' | C3' | C4' | 157.2° | 98.0° |
| H2'1 | C2' | C3' | O3' | 37.2° | 20.5° |
| H2'1 | C2' | C3' | H3' | 86.2° | 144.1° |
| H2'2 | C2' | C3' | C4' | 93.3° | 139.4° |
| H2'2 | C2' | C3' | O3' | 146.6° | 102.1° |
| H2'2 | C2' | C3' | H3' | 23.3° | 21.5° |
| C4' | C3' | O3' | H3' | 120.1° | 123.6° |
| C3' | C4' | O4' | C5' | 128.3° | 118.7° |
| C3' | C4' | O4' | H4' | 115.4° | 118.5° |
| C3' | C4' | C5' | H4' | 117.8° | 122.9° |
| C4' | C3' | O3' | HA | 180.0° | 174.2° |
| C3' | C4' | C5' | O5' | 60.5° | 177.8° |
| C3' | C4' | C5' | H5'1 | 174.2° | 57.8° |
| C3' | C4' | C5' | H5'2 | 64.8° | 62.1° |
| O3' | C3' | C4' | O4' | 95.0° | 155.1° |
| O3' | C3' | C4' | C5' | 138.2° | 86.3° |
| O3' | C3' | C4' | H4' | 20.4° | 36.6° |
| H3' | C3' | C4' | O4' | 144.9° | 81.3° |
| H3' | C3' | C4' | C5' | 18.2° | 37.4° |
| H3' | C3' | C4' | H4' | 99.7° | 160.2° |
| H3' | C3' | O3' | HA | 59.9° | 62.2° |
| O4' | C4' | C5' | H4' | 116.3° | 122.8° |
| O4' | C4' | C5' | O5' | 65.4° | 63.5° |
| O4' | C4' | C5' | H5'1 | 59.9° | 56.5° |
| O4' | C4' | C5' | H5'2 | 169.3° | 176.4° |
| C4' | C5' | O5' | H5'1 | 125.3° | 120.0° |
| C4' | C5' | O5' | H5'2 | 125.3° | 120.1° |
| C4' | C5' | H5'1 | H5'2 | 118.9° | 119.9° |
| C4' | C5' | O5' | H5' | 180.0° | 179.9° |
| H4' | C4' | C5' | O5' | 178.3° | 59.3° |
| H4' | C4' | C5' | H5'1 | 56.4° | 179.3° |
| H4' | C4' | C5' | H5'2 | 53.0° | 60.8° |
| O5' | C5' | H5'1 | H5'2 | 118.9° | 120.0° |
| H5'1 | C5' | O5' | H5' | 54.7° | 60.0° |
| H5'2 | C5' | O5' | H5' | 54.7° | 60.0° |
