ID2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O2 | doub | 1.22Å | 1.21Å | |
| C2 | N1 | sing | 1.34Å | 1.38Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| C4 | C5 | sing | 1.42Å | 1.48Å | |
| C4 | N3 | sing | 1.35Å | 1.39Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C5 | C6 | doub | 1.35Å | 1.41Å | |
| C5 | I | sing | 2.10Å | 2.11Å | |
| C6 | N1 | sing | 1.37Å | 1.40Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.36Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.49Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | C3' | sing | 1.55Å | 1.43Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.38Å | |
| C1' | N1 | sing | 1.47Å | 1.44Å | |
| C1' | C2' | sing | 1.54Å | 1.48Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C2' | C3' | sing | 1.55Å | 1.49Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.36Å | |
| C3' | H3' | sing | 1.09Å | 1.12Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N1 | 122.0° | 119.6° |
| O2 | C2 | N3 | 118.6° | 119.5° |
| N1 | C2 | N3 | 119.5° | 121.0° |
| C2 | N1 | C6 | 119.3° | 120.7° |
| C2 | N1 | C1' | 118.1° | 119.7° |
| C2 | N3 | C4 | 126.7° | 120.2° |
| C2 | N3 | HN3 | 116.5° | 119.9° |
| C5 | C4 | N3 | 112.7° | 119.4° |
| C5 | C4 | O4 | 128.2° | 120.4° |
| C4 | C5 | C6 | 121.2° | 119.1° |
| C4 | C5 | I | 117.9° | 120.4° |
| N3 | C4 | O4 | 119.2° | 120.3° |
| C4 | N3 | HN3 | 116.8° | 119.9° |
| C6 | C5 | I | 120.8° | 120.5° |
| C5 | C6 | N1 | 120.6° | 119.7° |
| C5 | C6 | H6 | 119.9° | 120.1° |
| N1 | C6 | H6 | 119.4° | 120.2° |
| C6 | N1 | C1' | 122.7° | 119.7° |
| C5' | O5' | HO5' | 109.0° | 106.8° |
| O5' | C5' | C4' | 109.0° | 109.5° |
| O5' | C5' | H5'1 | 112.3° | 109.5° |
| O5' | C5' | H5'2 | 112.4° | 109.5° |
| C4' | C5' | H5'1 | 112.4° | 109.4° |
| C4' | C5' | H5'2 | 112.4° | 109.4° |
| C5' | C4' | O4' | 109.8° | 110.6° |
| C5' | C4' | C3' | 113.2° | 110.6° |
| C5' | C4' | H4' | 106.0° | 110.5° |
| H5'1 | C5' | H5'2 | 98.0° | 109.5° |
| O4' | C4' | C3' | 107.3° | 103.6° |
| O4' | C4' | H4' | 112.0° | 110.6° |
| C4' | O4' | C1' | 111.6° | 107.0° |
| C3' | C4' | H4' | 108.6° | 110.6° |
| C4' | C3' | C2' | 99.2° | 102.0° |
| C4' | C3' | O3' | 108.1° | 111.2° |
| C4' | C3' | H3' | 115.2° | 110.7° |
| O4' | C1' | N1 | 103.2° | 109.9° |
| O4' | C1' | C2' | 99.9° | 107.3° |
| O4' | C1' | H1' | 120.8° | 109.9° |
| N1 | C1' | C2' | 114.3° | 110.0° |
| N1 | C1' | H1' | 107.8° | 109.8° |
| C2' | C1' | H1' | 110.8° | 109.9° |
| C1' | C2' | C3' | 105.3° | 104.3° |
| C1' | C2' | H2'1 | 113.8° | 110.5° |
| C1' | C2' | H2'2 | 113.8° | 110.5° |
| C3' | C2' | H2'1 | 113.8° | 110.3° |
| C3' | C2' | H2'2 | 113.8° | 110.6° |
| C2' | C3' | O3' | 104.7° | 111.0° |
| C2' | C3' | H3' | 118.1° | 110.9° |
| H2'1 | C2' | H2'2 | 96.6° | 110.5° |
| O3' | C3' | H3' | 110.5° | 110.7° |
| C3' | O3' | HO3' | 108.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N1 | N3 | 179.8° | 179.4° |
| O2 | C2 | N3 | C4 | 178.2° | 180.0° |
| O2 | C2 | N1 | C6 | 178.3° | 180.0° |
| O2 | C2 | N1 | C1' | 2.2° | 0.2° |
| O2 | C2 | N3 | HN3 | 1.7° | 0.3° |
| N1 | C2 | N3 | C4 | 1.6° | 0.6° |
| C2 | N1 | C6 | C5 | 1.0° | 0.2° |
| C2 | N1 | C6 | C1' | 179.5° | 179.8° |
| C2 | N1 | C6 | H6 | 179.0° | 179.8° |
| C2 | N1 | C1' | O4' | 126.3° | 58.3° |
| C2 | N1 | C1' | C2' | 126.3° | 59.6° |
| C2 | N1 | C1' | H1' | 2.6° | 179.3° |
| N1 | C2 | N3 | HN3 | 178.4° | 179.8° |
| C2 | N3 | C4 | C5 | 1.0° | 0.3° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.7° |
| C2 | N3 | C4 | O4 | 178.1° | 179.6° |
| N3 | C2 | N1 | C6 | 1.5° | 0.6° |
| N3 | C2 | N1 | C1' | 178.0° | 179.7° |
| C5 | C4 | N3 | O4 | 179.0° | 179.9° |
| C4 | C5 | C6 | I | 177.1° | 179.9° |
| C4 | C5 | C6 | N1 | 0.4° | 0.1° |
| C4 | C5 | C6 | H6 | 179.6° | 179.9° |
| C5 | C4 | N3 | HN3 | 179.1° | 179.9° |
| N3 | C4 | C5 | C6 | 0.4° | 0.1° |
| N3 | C4 | C5 | I | 177.6° | 180.0° |
| O4 | C4 | C5 | C6 | 178.6° | 180.0° |
| O4 | C4 | C5 | I | 1.4° | 0.1° |
| O4 | C4 | N3 | HN3 | 1.9° | 0.0° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C1' | 178.5° | 180.0° |
| I | C5 | C6 | N1 | 177.5° | 180.0° |
| I | C5 | C6 | H6 | 2.5° | 0.0° |
| C6 | N1 | C1' | O4' | 53.2° | 121.5° |
| C6 | N1 | C1' | C2' | 54.2° | 120.6° |
| C6 | N1 | C1' | H1' | 177.9° | 0.5° |
| H6 | C6 | N1 | C1' | 1.5° | 0.0° |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.2° | 120.1° |
| O5' | C5' | C4' | O4' | 63.2° | 63.6° |
| O5' | C5' | C4' | C3' | 56.7° | 177.8° |
| O5' | C5' | C4' | H4' | 175.6° | 59.3° |
| HO5' | O5' | C5' | C4' | 179.9° | 179.9° |
| HO5' | O5' | C5' | H5'1 | 54.6° | 60.1° |
| HO5' | O5' | C5' | H5'2 | 54.8° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 118.3° | 120.0° |
| C5' | C4' | O4' | C3' | 123.4° | 118.6° |
| C5' | C4' | O4' | H4' | 117.5° | 122.8° |
| C5' | C4' | C3' | H4' | 117.4° | 122.8° |
| C5' | C4' | O4' | C1' | 119.4° | 158.6° |
| C5' | C4' | C3' | C2' | 94.7° | 155.4° |
| C5' | C4' | C3' | O3' | 156.5° | 86.3° |
| C5' | C4' | C3' | H3' | 32.4° | 37.3° |
| H5'1 | C5' | C4' | O4' | 171.5° | 56.4° |
| H5'1 | C5' | C4' | C3' | 68.6° | 57.9° |
| H5'1 | C5' | C4' | H4' | 50.4° | 179.3° |
| H5'2 | C5' | C4' | O4' | 62.1° | 176.4° |
| H5'2 | C5' | C4' | C3' | 178.1° | 62.2° |
| H5'2 | C5' | C4' | H4' | 59.1° | 60.7° |
| O4' | C4' | C3' | H4' | 121.3° | 118.6° |
| C4' | O4' | C1' | N1 | 139.0° | 146.1° |
| C4' | O4' | C1' | C2' | 20.9° | 26.5° |
| C4' | O4' | C1' | H1' | 100.6° | 92.9° |
| O4' | C4' | C3' | C2' | 26.6° | 36.8° |
| O4' | C4' | C3' | O3' | 82.2° | 155.1° |
| O4' | C4' | C3' | H3' | 153.7° | 81.3° |
| C3' | C4' | O4' | C1' | 4.0° | 40.0° |
| C4' | C3' | C2' | C1' | 40.1° | 20.6° |
| C4' | C3' | C2' | O3' | 111.6° | 118.6° |
| C4' | C3' | C2' | H3' | 125.1° | 117.9° |
| C4' | C3' | C2' | H2'1 | 165.4° | 98.0° |
| C4' | C3' | C2' | H2'2 | 85.2° | 139.4° |
| C4' | C3' | O3' | H3' | 126.8° | 123.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
| H4' | C4' | O4' | C1' | 123.1° | 78.6° |
| H4' | C4' | C3' | C2' | 147.9° | 81.8° |
| H4' | C4' | C3' | O3' | 39.1° | 36.5° |
| H4' | C4' | C3' | H3' | 85.0° | 160.1° |
| O4' | C1' | N1 | C2' | 107.4° | 117.9° |
| O4' | C1' | N1 | H1' | 128.9° | 121.0° |
| O4' | C1' | C2' | H1' | 128.4° | 119.4° |
| O4' | C1' | C2' | C3' | 37.8° | 2.2° |
| O4' | C1' | C2' | H2'1 | 163.1° | 120.7° |
| O4' | C1' | C2' | H2'2 | 87.4° | 116.7° |
| N1 | C1' | C2' | H1' | 122.1° | 121.1° |
| N1 | C1' | C2' | C3' | 147.3° | 121.7° |
| N1 | C1' | C2' | H2'1 | 87.4° | 119.8° |
| N1 | C1' | C2' | H2'2 | 22.0° | 2.8° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.6° |
| C1' | C2' | C3' | H2'2 | 125.3° | 118.8° |
| C1' | C2' | H2'1 | H2'2 | 119.7° | 122.6° |
| C1' | C2' | C3' | O3' | 71.5° | 139.2° |
| C1' | C2' | C3' | H3' | 165.1° | 97.3° |
| H1' | C1' | C2' | C3' | 90.6° | 117.2° |
| H1' | C1' | C2' | H2'1 | 34.7° | 1.3° |
| H1' | C1' | C2' | H2'2 | 144.1° | 123.9° |
| C3' | C2' | H2'1 | H2'2 | 119.7° | 122.6° |
| C2' | C3' | O3' | H3' | 128.2° | 123.6° |
| C2' | C3' | O3' | HO3' | 75.0° | 61.3° |
| H2'1 | C2' | C3' | O3' | 53.8° | 20.5° |
| H2'1 | C2' | C3' | H3' | 69.6° | 144.0° |
| H2'2 | C2' | C3' | O3' | 163.2° | 102.0° |
| H2'2 | C2' | C3' | H3' | 39.8° | 21.5° |
| H3' | C3' | O3' | HO3' | 53.2° | 62.2° |
