TBN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| O5' | H5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.55Å | |
| 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 | 1.54Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.12Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| C1' | N9 | sing | 1.47Å | 1.50Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| N9 | C8 | sing | 1.37Å | 1.40Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.42Å | Aromatic |
| C8 | C7 | doub | 1.34Å | 1.37Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C7 | C5 | sing | 1.46Å | 1.36Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | doub | 1.33Å | 1.38Å | Aromatic |
| N6 | HN61 | sing | 0.97Å | 1.02Å | |
| N6 | HN62 | sing | 0.97Å | 1.02Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.11Å | |
| O2' | H1 | sing | 0.97Å | 0.95Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| O3' | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5' | O5' | H5' | 111.7° | 106.8° |
| O5' | C5' | C4' | 111.7° | 109.5° |
| O5' | C5' | H5'1 | 111.4° | 109.5° |
| O5' | C5' | H5'2 | 111.4° | 109.4° |
| C4' | C5' | H5'1 | 111.4° | 109.5° |
| C4' | C5' | H5'2 | 111.4° | 109.5° |
| C5' | C4' | O4' | 112.5° | 110.3° |
| C5' | C4' | C3' | 109.7° | 110.4° |
| C5' | C4' | H4' | 106.8° | 110.3° |
| H5'1 | C5' | H5'2 | 99.0° | 109.5° |
| O4' | C4' | C3' | 108.0° | 104.8° |
| O4' | C4' | H4' | 108.5° | 110.4° |
| C4' | O4' | C1' | 109.8° | 105.2° |
| C3' | C4' | H4' | 111.4° | 110.4° |
| C4' | C3' | C2' | 105.7° | 104.1° |
| C4' | C3' | O3' | 113.8° | 110.5° |
| C4' | C3' | H3' | 110.7° | 110.6° |
| O4' | C1' | N9 | 106.5° | 110.4° |
| O4' | C1' | C2' | 108.2° | 104.9° |
| O4' | C1' | H1' | 117.4° | 110.4° |
| N9 | C1' | C2' | 121.2° | 110.4° |
| N9 | C1' | H1' | 103.0° | 110.3° |
| C1' | N9 | C8 | 126.0° | 125.0° |
| C1' | N9 | C4 | 128.5° | 125.0° |
| C2' | C1' | H1' | 101.1° | 110.3° |
| C1' | C2' | O2' | 107.2° | 110.8° |
| C1' | C2' | C3' | 105.3° | 104.0° |
| C1' | C2' | H2' | 114.8° | 110.4° |
| C8 | N9 | C4 | 105.5° | 110.0° |
| N9 | C8 | C7 | 110.8° | 109.8° |
| N9 | C8 | H8 | 125.5° | 125.1° |
| N9 | C4 | C5 | 106.4° | 107.1° |
| N9 | C4 | N3 | 129.2° | 134.3° |
| C7 | C8 | H8 | 123.7° | 125.1° |
| C8 | C7 | C5 | 106.1° | 106.8° |
| C8 | C7 | H7 | 127.1° | 126.6° |
| C5 | C7 | H7 | 126.8° | 126.6° |
| C7 | C5 | C6 | 127.1° | 135.1° |
| C7 | C5 | C4 | 111.2° | 106.2° |
| C6 | C5 | C4 | 121.8° | 118.7° |
| C5 | C6 | N1 | 114.0° | 118.3° |
| C5 | C6 | N6 | 124.5° | 120.8° |
| C5 | C4 | N3 | 124.4° | 118.5° |
| N1 | C6 | N6 | 121.5° | 120.8° |
| C6 | N1 | C2 | 120.3° | 121.0° |
| C6 | N6 | HN61 | 106.9° | 120.0° |
| C6 | N6 | HN62 | 124.5° | 120.0° |
| N1 | C2 | N3 | 128.6° | 122.7° |
| N1 | C2 | H2 | 115.8° | 118.7° |
| N3 | C2 | H2 | 115.6° | 118.6° |
| C2 | N3 | C4 | 110.9° | 120.7° |
| HN61 | N6 | HN62 | 106.9° | 120.0° |
| O2' | C2' | C3' | 112.7° | 110.5° |
| O2' | C2' | H2' | 107.6° | 110.5° |
| C2' | O2' | H1 | 107.1° | 106.8° |
| C3' | C2' | H2' | 109.3° | 110.5° |
| C2' | C3' | O3' | 113.5° | 110.5° |
| C2' | C3' | H3' | 111.0° | 110.5° |
| O3' | C3' | H3' | 102.3° | 110.5° |
| C3' | O3' | H3 | 113.8° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H5'1 | 125.3° | 120.1° |
| O5' | C5' | C4' | H5'2 | 125.3° | 119.9° |
| O5' | C5' | H5'1 | H5'2 | 117.3° | 120.0° |
| O5' | C5' | C4' | O4' | 34.0° | 66.4° |
| O5' | C5' | C4' | C3' | 154.3° | 178.2° |
| O5' | C5' | C4' | H4' | 84.9° | 55.9° |
| H5' | O5' | C5' | C4' | 180.0° | 180.0° |
| H5' | O5' | C5' | H5'1 | 54.7° | 60.0° |
| H5' | O5' | C5' | H5'2 | 54.7° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 117.3° | 120.0° |
| C5' | C4' | O4' | C3' | 121.2° | 118.9° |
| C5' | C4' | O4' | H4' | 117.9° | 122.2° |
| C5' | C4' | C3' | H4' | 118.0° | 122.3° |
| C5' | C4' | O4' | C1' | 103.1° | 159.5° |
| C5' | C4' | C3' | C2' | 109.7° | 143.0° |
| C5' | C4' | C3' | O3' | 125.1° | 98.4° |
| C5' | C4' | C3' | H3' | 10.6° | 24.3° |
| H5'1 | C5' | C4' | O4' | 159.3° | 173.5° |
| H5'1 | C5' | C4' | C3' | 80.5° | 58.1° |
| H5'1 | C5' | C4' | H4' | 40.4° | 64.2° |
| H5'2 | C5' | C4' | O4' | 91.3° | 53.5° |
| H5'2 | C5' | C4' | C3' | 29.0° | 61.9° |
| H5'2 | C5' | C4' | H4' | 149.8° | 175.8° |
| O4' | C4' | C3' | H4' | 119.1° | 118.9° |
| C4' | O4' | C1' | N9 | 116.2° | 159.4° |
| C4' | O4' | C1' | C2' | 15.6° | 40.5° |
| C4' | O4' | C1' | H1' | 129.1° | 78.4° |
| O4' | C4' | C3' | C2' | 13.2° | 24.2° |
| O4' | C4' | C3' | O3' | 112.0° | 142.8° |
| O4' | C4' | C3' | H3' | 133.5° | 94.6° |
| C3' | C4' | O4' | C1' | 18.1° | 40.6° |
| C4' | C3' | C2' | C1' | 3.9° | 0.2° |
| C4' | C3' | C2' | O2' | 120.4° | 118.8° |
| C4' | C3' | C2' | O3' | 125.4° | 118.7° |
| C4' | C3' | C2' | H3' | 120.0° | 118.8° |
| C4' | C3' | C2' | H2' | 119.9° | 118.7° |
| C4' | C3' | O3' | H3' | 119.4° | 122.7° |
| C4' | C3' | O3' | H3 | 180.0° | 61.5° |
| H4' | C4' | O4' | C1' | 139.0° | 78.3° |
| H4' | C4' | C3' | C2' | 132.3° | 94.7° |
| H4' | C4' | C3' | O3' | 7.1° | 23.9° |
| H4' | C4' | C3' | H3' | 107.5° | 146.5° |
| O4' | C1' | N9 | C2' | 124.0° | 115.5° |
| O4' | C1' | N9 | H1' | 124.2° | 122.3° |
| O4' | C1' | C2' | H1' | 123.9° | 118.9° |
| O4' | C1' | N9 | C8 | 80.3° | 22.0° |
| O4' | C1' | N9 | C4 | 99.3° | 158.0° |
| O4' | C1' | C2' | O2' | 113.6° | 142.6° |
| O4' | C1' | C2' | C3' | 6.7° | 23.8° |
| O4' | C1' | C2' | H2' | 127.0° | 94.7° |
| N9 | C1' | C2' | H1' | 112.8° | 122.2° |
| C1' | N9 | C8 | C4 | 179.7° | 180.0° |
| C1' | N9 | C8 | C7 | 179.7° | 179.9° |
| C1' | N9 | C8 | H8 | 0.3° | 0.0° |
| C1' | N9 | C4 | C5 | 179.6° | 179.8° |
| C1' | N9 | C4 | N3 | 0.3° | 0.0° |
| N9 | C1' | C2' | O2' | 123.2° | 98.5° |
| N9 | C1' | C2' | C3' | 116.6° | 142.7° |
| N9 | C1' | C2' | H2' | 3.7° | 24.2° |
| C2' | C1' | N9 | C8 | 155.6° | 93.5° |
| C2' | C1' | N9 | C4 | 24.7° | 86.5° |
| C1' | C2' | O2' | C3' | 115.4° | 114.7° |
| C1' | C2' | O2' | H2' | 123.9° | 122.7° |
| C1' | C2' | C3' | H2' | 123.8° | 118.5° |
| C1' | C2' | O2' | H1 | 180.0° | 176.2° |
| C1' | C2' | C3' | O3' | 121.6° | 118.9° |
| C1' | C2' | C3' | H3' | 123.9° | 118.6° |
| H1' | C1' | N9 | C8 | 43.8° | 144.3° |
| H1' | C1' | N9 | C4 | 136.5° | 35.7° |
| H1' | C1' | C2' | O2' | 10.4° | 23.7° |
| H1' | C1' | C2' | C3' | 130.6° | 95.1° |
| H1' | C1' | C2' | H2' | 109.1° | 146.4° |
| N9 | C8 | C7 | H8 | 180.0° | 179.9° |
| N9 | C8 | C7 | C5 | 0.0° | 0.3° |
| N9 | C8 | C7 | H7 | 180.0° | 180.0° |
| C8 | N9 | C4 | C5 | 0.2° | 0.2° |
| C8 | N9 | C4 | N3 | 180.0° | 180.0° |
| C4 | N9 | C8 | C7 | 0.1° | 0.0° |
| C4 | N9 | C8 | H8 | 179.9° | 179.9° |
| N9 | C4 | C5 | C7 | 0.2° | 0.4° |
| N9 | C4 | C5 | C6 | 179.7° | 179.6° |
| N9 | C4 | C5 | N3 | 179.8° | 179.8° |
| N9 | C4 | N3 | C2 | 179.8° | 180.0° |
| C8 | C7 | C5 | H7 | 180.0° | 179.7° |
| C8 | C7 | C5 | C6 | 179.7° | 179.5° |
| C8 | C7 | C5 | C4 | 0.1° | 0.4° |
| H8 | C8 | C7 | C5 | 180.0° | 179.8° |
| H8 | C8 | C7 | H7 | 0.0° | 0.1° |
| C7 | C5 | C6 | C4 | 179.8° | 179.0° |
| C7 | C5 | C6 | N1 | 180.0° | 179.5° |
| C7 | C5 | C6 | N6 | 0.1° | 0.7° |
| C7 | C5 | C4 | N3 | 180.0° | 179.8° |
| H7 | C7 | C5 | C6 | 0.3° | 0.8° |
| H7 | C7 | C5 | C4 | 179.9° | 179.9° |
| C5 | C6 | N1 | N6 | 179.9° | 179.8° |
| C5 | C6 | N1 | C2 | 0.0° | 0.2° |
| C6 | C5 | C4 | N3 | 0.2° | 0.5° |
| C5 | C6 | N6 | HN61 | 54.7° | 179.7° |
| C5 | C6 | N6 | HN62 | 180.0° | 0.6° |
| C4 | C5 | C6 | N1 | 0.1° | 0.5° |
| C4 | C5 | C6 | N6 | 179.8° | 179.7° |
| C5 | C4 | N3 | C2 | 0.0° | 0.3° |
| C6 | N1 | C2 | N3 | 0.2° | 0.1° |
| C6 | N1 | C2 | H2 | 179.8° | 179.9° |
| N1 | C6 | N6 | HN61 | 125.1° | 0.1° |
| N1 | C6 | N6 | HN62 | 0.1° | 179.7° |
| N6 | C6 | N1 | C2 | 179.9° | 180.0° |
| C6 | N6 | HN61 | HN62 | 135.3° | 179.8° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| H2 | C2 | N3 | C4 | 179.9° | 180.0° |
| O2' | C2' | C3' | H2' | 119.7° | 122.6° |
| O2' | C2' | C3' | O3' | 5.0° | 0.1° |
| O2' | C2' | C3' | H3' | 119.6° | 122.5° |
| C3' | C2' | O2' | H1 | 64.6° | 61.5° |
| C2' | C3' | O3' | H3' | 119.7° | 122.6° |
| C2' | C3' | O3' | H3 | 59.0° | 176.1° |
| H2' | C2' | O2' | H1 | 56.1° | 61.1° |
| H2' | C2' | C3' | O3' | 114.6° | 122.7° |
| H2' | C2' | C3' | H3' | 0.1° | 0.1° |
| H3' | C3' | O3' | H3 | 60.6° | 61.3° |
