3DT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| N1 | C6 | sing | 1.37Å | 1.40Å | |
| N1 | C1' | sing | 1.47Å | 1.48Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C4 | sing | 1.35Å | 1.40Å | |
| N3 | CN | sing | 1.47Å | 1.48Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C5 | sing | 1.42Å | 1.39Å | |
| C5 | C6 | doub | 1.35Å | 1.39Å | |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | C4' | sing | 1.55Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| CN | HN | sing | 1.09Å | 1.10Å | |
| CN | HNA | sing | 1.09Å | 1.10Å | |
| CN | HNB | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.1° | 120.6° |
| C2 | N1 | C1' | 120.3° | 119.7° |
| N1 | C2 | O2 | 120.2° | 119.5° |
| N1 | C2 | N3 | 119.5° | 120.9° |
| C6 | N1 | C1' | 119.6° | 119.7° |
| N1 | C6 | C5 | 120.2° | 119.7° |
| N1 | C6 | H6 | 119.9° | 120.2° |
| N1 | C1' | C2' | 113.0° | 109.9° |
| N1 | C1' | O4' | 112.0° | 109.9° |
| N1 | C1' | H1' | 103.6° | 109.9° |
| O2 | C2 | N3 | 120.2° | 119.5° |
| C2 | N3 | C4 | 120.0° | 120.3° |
| C2 | N3 | CN | 120.1° | 119.9° |
| C4 | N3 | CN | 119.9° | 119.8° |
| N3 | C4 | O4 | 119.8° | 120.3° |
| N3 | C4 | C5 | 120.2° | 119.4° |
| N3 | CN | HN | 109.5° | 109.4° |
| N3 | CN | HNA | 109.4° | 109.5° |
| N3 | CN | HNB | 109.4° | 109.4° |
| O4 | C4 | C5 | 120.1° | 120.3° |
| C4 | C5 | C6 | 120.0° | 119.1° |
| C4 | C5 | C7 | 120.4° | 120.4° |
| C6 | C5 | C7 | 119.6° | 120.4° |
| C5 | C6 | H6 | 119.9° | 120.1° |
| C5 | C7 | H7 | 109.5° | 109.5° |
| C5 | C7 | H7A | 109.4° | 109.5° |
| C5 | C7 | H7B | 109.4° | 109.5° |
| C2' | C1' | O4' | 103.4° | 107.2° |
| C1' | C2' | C3' | 96.8° | 104.2° |
| C2' | C1' | H1' | 112.2° | 109.9° |
| C1' | C2' | H2' | 113.9° | 110.4° |
| C1' | C2' | H2'A | 113.9° | 110.4° |
| C1' | O4' | C4' | 106.9° | 107.0° |
| O4' | C1' | H1' | 113.1° | 110.0° |
| C2' | C3' | O3' | 109.5° | 110.8° |
| C2' | C3' | C4' | 101.2° | 102.1° |
| C3' | C2' | H2' | 113.9° | 110.5° |
| C3' | C2' | H2'A | 113.9° | 110.5° |
| C2' | C3' | H3' | 115.3° | 110.9° |
| O3' | C3' | C4' | 111.3° | 110.9° |
| O3' | C3' | H3' | 105.9° | 110.8° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.9° | 103.5° |
| C3' | C4' | C5' | 110.4° | 110.6° |
| C4' | C3' | H3' | 113.7° | 111.0° |
| C3' | C4' | H4' | 110.7° | 110.7° |
| O4' | C4' | C5' | 107.8° | 110.6° |
| O4' | C4' | H4' | 113.1° | 110.6° |
| C4' | C5' | O5' | 110.1° | 109.5° |
| C5' | C4' | H4' | 108.8° | 110.6° |
| C4' | C5' | H5' | 109.3° | 109.5° |
| C4' | C5' | H5'A | 109.3° | 109.4° |
| O5' | C5' | H5' | 109.2° | 109.5° |
| O5' | C5' | H5'A | 109.3° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.4° |
| HN | CN | HNA | 109.5° | 109.5° |
| HN | CN | HNB | 109.5° | 109.5° |
| HNA | CN | HNB | 109.5° | 109.5° |
| H2' | C2' | H2'A | 104.7° | 110.6° |
| H5' | C5' | H5'A | 109.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 179.7° | 179.7° |
| N1 | C2 | O2 | N3 | 177.9° | 180.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| N1 | C2 | N3 | CN | 178.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C1' | C2' | 102.6° | 115.0° |
| C2 | N1 | C1' | O4' | 141.2° | 127.2° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| C2 | N1 | C1' | H1' | 18.9° | 6.0° |
| C6 | N1 | C2 | O2 | 177.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.4° | 0.0° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | C7 | 179.6° | 180.0° |
| C6 | N1 | C1' | C2' | 77.7° | 65.2° |
| C6 | N1 | C1' | O4' | 38.5° | 52.5° |
| C6 | N1 | C1' | H1' | 160.7° | 173.7° |
| C1' | N1 | C2 | O2 | 2.8° | 0.2° |
| C1' | N1 | C2 | N3 | 179.3° | 179.7° |
| C1' | N1 | C6 | C5 | 179.6° | 179.7° |
| N1 | C1' | C2' | O4' | 121.2° | 119.4° |
| N1 | C1' | C2' | H1' | 116.6° | 121.0° |
| N1 | C1' | O4' | H1' | 116.6° | 121.1° |
| N1 | C1' | C2' | C3' | 170.1° | 121.4° |
| N1 | C1' | O4' | C4' | 155.4° | 145.9° |
| C1' | N1 | C6 | H6 | 0.4° | 0.2° |
| N1 | C1' | C2' | H2' | 69.9° | 119.9° |
| N1 | C1' | C2' | H2'A | 50.1° | 2.7° |
| O2 | C2 | N3 | C4 | 177.5° | 180.0° |
| O2 | C2 | N3 | CN | 3.2° | 0.1° |
| C2 | N3 | C4 | CN | 179.3° | 180.0° |
| C2 | N3 | C4 | O4 | 179.8° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | CN | HN | 180.0° | 90.0° |
| C2 | N3 | CN | HNA | 60.0° | 150.0° |
| C2 | N3 | CN | HNB | 60.0° | 30.0° |
| N3 | C4 | O4 | C5 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | C7 | 179.6° | 180.0° |
| C4 | N3 | CN | HN | 0.7° | 90.1° |
| C4 | N3 | CN | HNA | 120.7° | 30.0° |
| C4 | N3 | CN | HNB | 119.3° | 150.0° |
| CN | N3 | C4 | O4 | 1.0° | 0.1° |
| CN | N3 | C4 | C5 | 179.1° | 180.0° |
| N3 | CN | HN | HNA | 120.0° | 120.0° |
| N3 | CN | HN | HNB | 120.0° | 119.9° |
| N3 | CN | HNA | HNB | 119.9° | 120.0° |
| O4 | C4 | C5 | C6 | 179.9° | 180.0° |
| O4 | C4 | C5 | C7 | 0.3° | 0.0° |
| C4 | C5 | C6 | C7 | 179.7° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C4 | C5 | C7 | H7 | 180.0° | 0.0° |
| C4 | C5 | C7 | H7A | 60.0° | 120.0° |
| C4 | C5 | C7 | H7B | 60.0° | 120.0° |
| C6 | C5 | C7 | H7 | 0.2° | 180.0° |
| C6 | C5 | C7 | H7A | 119.8° | 60.0° |
| C6 | C5 | C7 | H7B | 120.2° | 60.0° |
| C7 | C5 | C6 | H6 | 0.4° | 0.0° |
| C5 | C7 | H7 | H7A | 120.0° | 120.1° |
| C5 | C7 | H7 | H7B | 120.0° | 120.0° |
| C5 | C7 | H7A | H7B | 120.0° | 120.0° |
| C2' | C1' | O4' | H1' | 121.5° | 119.5° |
| C1' | C2' | C3' | H2' | 120.0° | 118.6° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.6° |
| C1' | C2' | C3' | O3' | 72.5° | 139.1° |
| C1' | C2' | C3' | C4' | 45.0° | 20.9° |
| C2' | C1' | O4' | C4' | 33.5° | 26.5° |
| C1' | C2' | H2' | H2'A | 125.1° | 122.5° |
| C1' | C2' | C3' | H3' | 168.2° | 97.4° |
| O4' | C1' | C2' | C3' | 48.9° | 2.0° |
| C1' | O4' | C4' | C3' | 3.6° | 40.1° |
| C1' | O4' | C4' | C5' | 121.8° | 158.6° |
| O4' | C1' | C2' | H2' | 168.9° | 120.7° |
| O4' | C1' | C2' | H2'A | 71.1° | 116.7° |
| C1' | O4' | C4' | H4' | 117.8° | 78.5° |
| C2' | C3' | O3' | C4' | 111.0° | 112.7° |
| C2' | C3' | O3' | H3' | 125.0° | 123.6° |
| C2' | C3' | C4' | H3' | 124.3° | 118.2° |
| C2' | C3' | C4' | O4' | 27.4° | 37.0° |
| C2' | C3' | C4' | C5' | 89.1° | 155.6° |
| C3' | C2' | C1' | H1' | 73.3° | 117.5° |
| C3' | C2' | H2' | H2'A | 125.1° | 122.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.4° |
| C2' | C3' | C4' | H4' | 150.3° | 81.5° |
| O3' | C3' | C4' | H3' | 119.5° | 123.6° |
| O3' | C3' | C4' | O4' | 88.9° | 155.2° |
| O3' | C3' | C4' | C5' | 154.7° | 86.3° |
| O3' | C3' | C2' | H2' | 47.5° | 20.5° |
| O3' | C3' | C2' | H2'A | 167.5° | 102.3° |
| O3' | C3' | C4' | H4' | 34.1° | 36.7° |
| C3' | C4' | O4' | C5' | 118.2° | 118.5° |
| C3' | C4' | O4' | H4' | 121.4° | 118.6° |
| C3' | C4' | C5' | H4' | 121.7° | 123.0° |
| C3' | C4' | C5' | O5' | 52.9° | 175.0° |
| C4' | C3' | C2' | H2' | 165.0° | 97.7° |
| C4' | C3' | C2' | H2'A | 75.0° | 139.5° |
| C4' | C3' | O3' | HO3' | 69.0° | 174.1° |
| C3' | C4' | C5' | H5' | 172.9° | 55.0° |
| C3' | C4' | C5' | H5'A | 67.1° | 65.0° |
| O4' | C4' | C5' | H4' | 123.1° | 122.9° |
| O4' | C4' | C5' | O5' | 62.4° | 70.9° |
| C4' | O4' | C1' | H1' | 88.0° | 93.0° |
| O4' | C4' | C3' | H3' | 151.6° | 81.2° |
| O4' | C4' | C5' | H5' | 57.6° | 169.1° |
| O4' | C4' | C5' | H5'A | 177.6° | 49.1° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 35.1° | 37.3° |
| C4' | C5' | H5' | H5'A | 119.7° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| O5' | C5' | C4' | H4' | 174.6° | 52.1° |
| O5' | C5' | H5' | H5'A | 119.7° | 120.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| HN | CN | HNA | HNB | 120.0° | 120.0° |
| H1' | C1' | C2' | H2' | 46.7° | 1.1° |
| H1' | C1' | C2' | H2'A | 166.7° | 123.7° |
| H2' | C2' | C3' | H3' | 71.8° | 144.0° |
| H2'A | C2' | C3' | H3' | 48.1° | 21.2° |
| H3' | C3' | O3' | HO3' | 55.1° | 62.2° |
| H3' | C3' | C4' | H4' | 85.4° | 160.3° |
| H4' | C4' | C5' | H5' | 65.4° | 68.0° |
| H4' | C4' | C5' | H5'A | 54.6° | 172.0° |
| H5' | C5' | O5' | HO5' | 60.0° | 60.0° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
