BTD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.43Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C3' | sing | 1.55Å | 1.44Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O4' | C1' | sing | 1.44Å | 1.40Å | |
| C1' | N1 | sing | 1.46Å | 1.52Å | |
| C1' | C2' | sing | 1.54Å | 1.46Å | |
| C1' | H1' | sing | 1.09Å | 1.11Å | |
| N1 | C6 | sing | 1.37Å | 1.40Å | |
| N1 | C2 | sing | 1.34Å | 1.38Å | |
| C6 | C5 | doub | 1.36Å | 1.35Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C2 | O2 | doub | 1.22Å | 1.23Å | |
| C2 | N3 | sing | 1.34Å | 1.33Å | |
| N3 | C4 | sing | 1.35Å | 1.36Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | O4 | doub | 1.22Å | 1.21Å | |
| C4 | C5 | sing | 1.47Å | 1.48Å | |
| C5 | C55 | sing | 1.48Å | 1.42Å | |
| C55 | C44 | doub | 1.37Å | 1.35Å | Aromatic |
| C55 | S11 | sing | 1.78Å | 1.85Å | Aromatic |
| C44 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C33 | C22 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C22 | S11 | sing | 1.78Å | 1.70Å | Aromatic |
| C22 | BR | sing | 1.89Å | 1.88Å | |
| C2' | C3' | sing | 1.55Å | 1.48Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.12Å | |
| C3' | O3' | sing | 1.43Å | 1.35Å | |
| 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) |
| C5' | O5' | HO5' | 107.3° | 106.8° |
| O5' | C5' | C4' | 107.3° | 109.5° |
| O5' | C5' | H5'1 | 113.0° | 109.5° |
| O5' | C5' | H5'2 | 113.0° | 109.5° |
| C4' | C5' | H5'1 | 113.0° | 109.4° |
| C4' | C5' | H5'2 | 113.1° | 109.5° |
| C5' | C4' | O4' | 104.5° | 110.6° |
| C5' | C4' | C3' | 118.6° | 110.6° |
| C5' | C4' | H4' | 106.4° | 110.6° |
| H5'1 | C5' | H5'2 | 97.4° | 109.5° |
| O4' | C4' | C3' | 108.1° | 103.6° |
| O4' | C4' | H4' | 117.3° | 110.6° |
| C4' | O4' | C1' | 109.8° | 107.0° |
| C3' | C4' | H4' | 102.7° | 110.6° |
| C4' | C3' | C2' | 98.9° | 102.0° |
| C4' | C3' | O3' | 100.4° | 111.2° |
| C4' | C3' | H3' | 121.1° | 110.8° |
| O4' | C1' | N1 | 100.7° | 109.9° |
| O4' | C1' | C2' | 101.9° | 107.2° |
| O4' | C1' | H1' | 122.4° | 110.0° |
| N1 | C1' | C2' | 117.5° | 110.0° |
| N1 | C1' | H1' | 108.0° | 109.9° |
| C1' | N1 | C6 | 124.8° | 119.3° |
| C1' | N1 | C2 | 113.0° | 119.3° |
| C2' | C1' | H1' | 106.9° | 109.9° |
| C1' | C2' | C3' | 107.6° | 104.3° |
| C1' | C2' | H2'1 | 113.0° | 110.5° |
| C1' | C2' | H2'2 | 112.9° | 110.5° |
| C6 | N1 | C2 | 122.1° | 121.3° |
| N1 | C6 | C5 | 122.0° | 119.5° |
| N1 | C6 | H6 | 120.9° | 120.3° |
| N1 | C2 | O2 | 123.1° | 119.1° |
| N1 | C2 | N3 | 116.6° | 121.9° |
| C5 | C6 | H6 | 117.1° | 120.2° |
| C6 | C5 | C4 | 115.2° | 118.3° |
| C6 | C5 | C55 | 123.3° | 120.8° |
| O2 | C2 | N3 | 120.3° | 119.0° |
| C2 | N3 | C4 | 124.7° | 120.3° |
| C2 | N3 | HN3 | 116.4° | 119.9° |
| C4 | N3 | HN3 | 119.0° | 119.8° |
| N3 | C4 | O4 | 112.7° | 120.6° |
| N3 | C4 | C5 | 119.3° | 118.7° |
| O4 | C4 | C5 | 128.0° | 120.7° |
| C4 | C5 | C55 | 121.5° | 120.9° |
| C5 | C55 | C44 | 127.4° | 129.0° |
| C5 | C55 | S11 | 123.6° | 129.1° |
| C44 | C55 | S11 | 108.9° | 101.9° |
| C55 | C44 | C33 | 113.4° | 118.7° |
| C55 | C44 | H44 | 122.7° | 120.6° |
| C55 | S11 | C22 | 90.5° | 98.2° |
| C33 | C44 | H44 | 124.0° | 120.7° |
| C44 | C33 | C22 | 116.4° | 119.1° |
| C44 | C33 | H33 | 121.3° | 120.4° |
| C22 | C33 | H33 | 122.3° | 120.4° |
| C33 | C22 | S11 | 110.8° | 102.1° |
| C33 | C22 | BR | 141.4° | 129.0° |
| S11 | C22 | BR | 107.9° | 129.0° |
| C3' | C2' | H2'1 | 112.9° | 110.3° |
| C3' | C2' | H2'2 | 112.9° | 110.6° |
| C2' | C3' | O3' | 109.8° | 110.9° |
| C2' | C3' | H3' | 113.2° | 110.9° |
| H2'1 | C2' | H2'2 | 97.5° | 110.5° |
| O3' | C3' | H3' | 112.0° | 110.8° |
| C3' | O3' | HO3' | 100.4° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5' | C5' | C4' | H5'1 | 125.2° | 120.0° |
| O5' | C5' | C4' | H5'2 | 125.3° | 120.0° |
| O5' | C5' | H5'1 | H5'2 | 118.9° | 120.0° |
| O5' | C5' | C4' | O4' | 62.8° | 63.5° |
| O5' | C5' | C4' | C3' | 57.5° | 177.8° |
| O5' | C5' | C4' | H4' | 172.5° | 59.3° |
| HO5' | O5' | C5' | C4' | 180.0° | 180.0° |
| HO5' | O5' | C5' | H5'1 | 54.7° | 60.0° |
| HO5' | O5' | C5' | H5'2 | 54.7° | 60.0° |
| C4' | C5' | H5'1 | H5'2 | 119.0° | 120.0° |
| C5' | C4' | O4' | C3' | 127.2° | 118.6° |
| C5' | C4' | O4' | H4' | 117.4° | 122.8° |
| C5' | C4' | C3' | H4' | 116.9° | 122.9° |
| C5' | C4' | O4' | C1' | 120.4° | 158.6° |
| C5' | C4' | C3' | C2' | 92.6° | 155.4° |
| C5' | C4' | C3' | O3' | 155.3° | 86.3° |
| C5' | C4' | C3' | H3' | 31.5° | 37.3° |
| H5'1 | C5' | C4' | O4' | 171.9° | 56.5° |
| H5'1 | C5' | C4' | C3' | 67.7° | 57.8° |
| H5'1 | C5' | C4' | H4' | 47.2° | 179.3° |
| H5'2 | C5' | C4' | O4' | 62.5° | 176.4° |
| H5'2 | C5' | C4' | C3' | 177.2° | 62.2° |
| H5'2 | C5' | C4' | H4' | 62.2° | 60.7° |
| O4' | C4' | C3' | H4' | 124.6° | 118.5° |
| C4' | O4' | C1' | N1 | 137.8° | 146.1° |
| C4' | O4' | C1' | C2' | 16.4° | 26.5° |
| C4' | O4' | C1' | H1' | 102.7° | 92.9° |
| O4' | C4' | C3' | C2' | 25.9° | 36.8° |
| O4' | C4' | C3' | O3' | 86.2° | 155.1° |
| O4' | C4' | C3' | H3' | 150.0° | 81.3° |
| C3' | C4' | O4' | C1' | 6.7° | 40.0° |
| C4' | C3' | C2' | C1' | 37.1° | 20.6° |
| C4' | C3' | C2' | O3' | 104.5° | 118.5° |
| C4' | C3' | C2' | H3' | 129.5° | 118.0° |
| C4' | C3' | C2' | H2'1 | 162.4° | 98.0° |
| C4' | C3' | C2' | H2'2 | 88.2° | 139.5° |
| C4' | C3' | O3' | H3' | 129.8° | 123.6° |
| C4' | C3' | O3' | HO3' | 180.0° | 174.2° |
| H4' | C4' | O4' | C1' | 122.1° | 78.5° |
| H4' | C4' | C3' | C2' | 150.5° | 81.7° |
| H4' | C4' | C3' | O3' | 38.4° | 36.6° |
| H4' | C4' | C3' | H3' | 85.4° | 160.2° |
| O4' | C1' | N1 | C2' | 109.6° | 117.8° |
| O4' | C1' | N1 | H1' | 129.4° | 121.1° |
| O4' | C1' | C2' | H1' | 129.5° | 119.5° |
| O4' | C1' | N1 | C6 | 44.9° | 121.5° |
| O4' | C1' | N1 | C2 | 132.7° | 58.2° |
| O4' | C1' | C2' | C3' | 33.9° | 2.2° |
| O4' | C1' | C2' | H2'1 | 159.2° | 120.7° |
| O4' | C1' | C2' | H2'2 | 91.4° | 116.7° |
| N1 | C1' | C2' | H1' | 121.6° | 121.1° |
| C1' | N1 | C6 | C2 | 177.4° | 179.8° |
| C1' | N1 | C6 | C5 | 179.5° | 179.9° |
| C1' | N1 | C6 | H6 | 0.5° | 0.0° |
| C1' | N1 | C2 | O2 | 2.4° | 0.3° |
| C1' | N1 | C2 | N3 | 177.7° | 179.8° |
| N1 | C1' | C2' | C3' | 142.7° | 121.7° |
| N1 | C1' | C2' | H2'1 | 92.0° | 119.8° |
| N1 | C1' | C2' | H2'2 | 17.4° | 2.8° |
| C2' | C1' | N1 | C6 | 64.6° | 120.6° |
| C2' | C1' | N1 | C2 | 117.8° | 59.6° |
| C1' | C2' | C3' | H2'1 | 125.3° | 118.6° |
| C1' | C2' | C3' | H2'2 | 125.3° | 118.8° |
| C1' | C2' | H2'1 | H2'2 | 118.8° | 122.7° |
| C1' | C2' | C3' | O3' | 67.4° | 139.1° |
| C1' | C2' | C3' | H3' | 166.6° | 97.3° |
| H1' | C1' | N1 | C6 | 174.3° | 0.4° |
| H1' | C1' | N1 | C2 | 3.3° | 179.3° |
| H1' | C1' | C2' | C3' | 95.7° | 117.3° |
| H1' | C1' | C2' | H2'1 | 29.6° | 1.2° |
| H1' | C1' | C2' | H2'2 | 139.0° | 123.9° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | N1 | C2 | O2 | 179.9° | 179.9° |
| C6 | N1 | C2 | N3 | 0.1° | 0.5° |
| N1 | C6 | C5 | C4 | 1.9° | 0.1° |
| N1 | C6 | C5 | C55 | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 2.1° | 0.2° |
| C2 | N1 | C6 | H6 | 178.0° | 179.8° |
| N1 | C2 | O2 | N3 | 179.9° | 179.5° |
| N1 | C2 | N3 | C4 | 2.1° | 0.5° |
| N1 | C2 | N3 | HN3 | 178.0° | 179.7° |
| C6 | C5 | C4 | N3 | 0.1° | 0.0° |
| C6 | C5 | C4 | O4 | 179.5° | 180.0° |
| C6 | C5 | C4 | C55 | 178.4° | 179.9° |
| C6 | C5 | C55 | C44 | 20.7° | 119.8° |
| C6 | C5 | C55 | S11 | 156.1° | 59.9° |
| H6 | C6 | C5 | C4 | 178.2° | 180.0° |
| H6 | C6 | C5 | C55 | 0.2° | 0.1° |
| O2 | C2 | N3 | C4 | 177.8° | 180.0° |
| O2 | C2 | N3 | HN3 | 2.2° | 0.2° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 177.5° | 179.7° |
| C2 | N3 | C4 | C5 | 2.2° | 0.3° |
| N3 | C4 | O4 | C5 | 179.6° | 180.0° |
| N3 | C4 | C5 | C55 | 178.3° | 180.0° |
| HN3 | N3 | C4 | O4 | 2.5° | 0.0° |
| HN3 | N3 | C4 | C5 | 177.8° | 179.9° |
| O4 | C4 | C5 | C55 | 2.1° | 0.0° |
| C4 | C5 | C55 | C44 | 157.6° | 60.3° |
| C4 | C5 | C55 | S11 | 25.7° | 120.0° |
| C5 | C55 | C44 | S11 | 177.2° | 179.8° |
| C5 | C55 | C44 | C33 | 179.1° | 179.8° |
| C5 | C55 | C44 | H44 | 0.9° | 0.3° |
| C5 | C55 | S11 | C22 | 179.0° | 179.9° |
| C55 | C44 | C33 | H44 | 180.0° | 179.5° |
| C55 | C44 | C33 | C22 | 1.4° | 0.4° |
| C55 | C44 | C33 | H33 | 178.7° | 179.8° |
| C44 | C55 | S11 | C22 | 1.7° | 0.3° |
| S11 | C55 | C44 | C33 | 2.0° | 0.4° |
| S11 | C55 | C44 | H44 | 178.0° | 179.9° |
| C55 | S11 | C22 | C33 | 1.0° | 0.1° |
| C55 | S11 | C22 | BR | 178.6° | 180.0° |
| C44 | C33 | C22 | H33 | 180.0° | 179.8° |
| C44 | C33 | C22 | S11 | 0.1° | 0.2° |
| C44 | C33 | C22 | BR | 179.4° | 179.7° |
| H44 | C44 | C33 | C22 | 178.6° | 180.0° |
| H44 | C44 | C33 | H33 | 1.3° | 0.2° |
| C33 | C22 | S11 | BR | 179.6° | 179.9° |
| H33 | C33 | C22 | S11 | 179.9° | 180.0° |
| H33 | C33 | C22 | BR | 0.6° | 0.1° |
| C3' | C2' | H2'1 | H2'2 | 118.8° | 122.6° |
| C2' | C3' | O3' | H3' | 126.7° | 123.6° |
| C2' | C3' | O3' | HO3' | 76.5° | 61.5° |
| H2'1 | C2' | C3' | O3' | 57.9° | 20.5° |
| H2'1 | C2' | C3' | H3' | 68.1° | 144.0° |
| H2'2 | C2' | C3' | O3' | 167.3° | 102.1° |
| H2'2 | C2' | C3' | H3' | 41.3° | 21.5° |
| H3' | C3' | O3' | HO3' | 50.1° | 62.1° |
