5BT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | N1 | sing | 1.46Å | 1.48Å | |
| N1 | C6 | sing | 1.36Å | 1.33Å | |
| N1 | C2 | sing | 1.35Å | 1.41Å | |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.33Å | 1.34Å | |
| N3 | C4 | doub | 1.33Å | 1.33Å | |
| C5 | C4 | sing | 1.41Å | 1.49Å | |
| C4 | N4 | sing | 1.38Å | 1.36Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C6 | C5 | doub | 1.35Å | 1.39Å | |
| C5 | BR5 | sing | 1.89Å | 1.91Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.45Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C3' | C4' | sing | 1.54Å | 1.51Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.43Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| 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) |
| C1' | N1 | C6 | 121.4° | 119.9° |
| C1' | N1 | C2 | 119.3° | 119.8° |
| N1 | C1' | C2' | 119.3° | 110.4° |
| N1 | C1' | O4' | 108.1° | 110.4° |
| N1 | C1' | H1' | 102.8° | 110.4° |
| C6 | N1 | C2 | 119.2° | 120.4° |
| N1 | C6 | C5 | 120.8° | 119.3° |
| N1 | C6 | H6 | 119.6° | 120.3° |
| N1 | C2 | O2 | 119.3° | 119.5° |
| N1 | C2 | N3 | 122.1° | 121.0° |
| O2 | C2 | N3 | 118.5° | 119.5° |
| C2 | N3 | C4 | 121.9° | 120.8° |
| N3 | C4 | C5 | 117.4° | 119.6° |
| N3 | C4 | N4 | 117.9° | 120.2° |
| C5 | C4 | N4 | 124.7° | 120.2° |
| C4 | C5 | C6 | 118.6° | 118.9° |
| C4 | C5 | BR5 | 124.9° | 120.5° |
| C4 | N4 | HN4 | 120.0° | 120.0° |
| C4 | N4 | HN4A | 120.0° | 120.1° |
| HN4 | N4 | HN4A | 120.0° | 119.9° |
| C6 | C5 | BR5 | 116.5° | 120.5° |
| C5 | C6 | H6 | 119.6° | 120.4° |
| C2' | C1' | O4' | 106.9° | 104.8° |
| C2' | C1' | H1' | 104.1° | 110.4° |
| C1' | C2' | C3' | 103.1° | 104.1° |
| C1' | C2' | H2' | 111.7° | 110.5° |
| C1' | C2' | H2'A | 111.6° | 110.5° |
| O4' | C1' | H1' | 116.1° | 110.4° |
| C1' | O4' | C4' | 110.8° | 105.3° |
| C3' | C2' | H2' | 111.6° | 110.6° |
| C3' | C2' | H2'A | 111.7° | 110.5° |
| C2' | C3' | O3' | 110.5° | 110.5° |
| C2' | C3' | C4' | 104.8° | 104.1° |
| C2' | C3' | H3' | 111.0° | 110.5° |
| H2' | C2' | H2'A | 107.2° | 110.5° |
| O3' | C3' | C4' | 106.9° | 110.5° |
| O3' | C3' | H3' | 109.0° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C4' | C3' | H3' | 114.4° | 110.7° |
| C3' | C4' | C5' | 111.5° | 110.4° |
| C3' | C4' | O4' | 104.3° | 104.8° |
| C3' | C4' | H4' | 112.3° | 110.4° |
| C5' | C4' | O4' | 111.6° | 110.4° |
| C5' | C4' | H4' | 105.2° | 110.5° |
| C4' | C5' | O5' | 107.3° | 109.5° |
| C4' | C5' | H5' | 110.2° | 109.5° |
| C4' | C5' | H5'A | 110.2° | 109.5° |
| O4' | C4' | H4' | 112.2° | 110.4° |
| O5' | C5' | H5' | 110.2° | 109.5° |
| O5' | C5' | H5'A | 110.2° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| H5' | C5' | H5'A | 108.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1' | N1 | C6 | C2 | 175.5° | 179.8° |
| C1' | N1 | C2 | O2 | 4.3° | 0.2° |
| C1' | N1 | C2 | N3 | 177.4° | 179.7° |
| C1' | N1 | C6 | C5 | 177.2° | 179.7° |
| C1' | N1 | C6 | H6 | 2.8° | 0.2° |
| N1 | C1' | C2' | O4' | 122.9° | 118.9° |
| N1 | C1' | C2' | H1' | 113.7° | 122.3° |
| N1 | C1' | O4' | H1' | 114.8° | 122.3° |
| N1 | C1' | C2' | C3' | 138.0° | 142.8° |
| N1 | C1' | C2' | H2' | 102.0° | 98.5° |
| N1 | C1' | C2' | H2'A | 18.0° | 24.2° |
| N1 | C1' | O4' | C4' | 124.9° | 159.3° |
| C6 | N1 | C2 | O2 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 1.8° | 0.1° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | BR5 | 178.6° | 179.9° |
| C6 | N1 | C1' | C2' | 73.7° | 118.2° |
| C6 | N1 | C1' | O4' | 48.7° | 126.4° |
| C6 | N1 | C1' | H1' | 172.0° | 4.1° |
| N1 | C2 | O2 | N3 | 178.4° | 179.9° |
| N1 | C2 | N3 | C4 | 0.8° | 0.1° |
| C2 | N1 | C6 | C5 | 1.7° | 0.1° |
| C2 | N1 | C6 | H6 | 178.3° | 180.0° |
| C2 | N1 | C1' | C2' | 110.8° | 61.6° |
| C2 | N1 | C1' | O4' | 126.8° | 53.8° |
| C2 | N1 | C1' | H1' | 3.5° | 176.0° |
| O2 | C2 | N3 | C4 | 179.2° | 179.9° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | N4 | 179.8° | 180.0° |
| N3 | C4 | C5 | N4 | 179.9° | 180.0° |
| N3 | C4 | N4 | HN4 | 0.0° | 0.0° |
| N3 | C4 | N4 | HN4A | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| N3 | C4 | C5 | BR5 | 179.5° | 180.0° |
| C5 | C4 | N4 | HN4 | 179.8° | 180.0° |
| C5 | C4 | N4 | HN4A | 0.1° | 0.0° |
| C4 | C5 | C6 | BR5 | 179.3° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 179.9° |
| C4 | N4 | HN4 | HN4A | 180.0° | 180.0° |
| N4 | C4 | C5 | C6 | 179.7° | 180.0° |
| N4 | C4 | C5 | BR5 | 0.4° | 0.0° |
| BR5 | C5 | C6 | H6 | 1.4° | 0.0° |
| C2' | C1' | O4' | H1' | 115.6° | 118.8° |
| C1' | C2' | C3' | H2' | 120.0° | 118.7° |
| C1' | C2' | C3' | H2'A | 120.0° | 118.6° |
| C1' | C2' | H2' | H2'A | 122.6° | 122.6° |
| C1' | C2' | C3' | O3' | 86.4° | 118.7° |
| C1' | C2' | C3' | C4' | 28.4° | 0.1° |
| C1' | C2' | C3' | H3' | 152.4° | 118.8° |
| C2' | C1' | O4' | C4' | 4.8° | 40.5° |
| O4' | C1' | C2' | C3' | 15.1° | 23.9° |
| O4' | C1' | C2' | H2' | 135.1° | 142.6° |
| O4' | C1' | C2' | H2'A | 104.9° | 94.7° |
| C1' | O4' | C4' | C3' | 22.8° | 40.5° |
| C1' | O4' | C4' | C5' | 97.7° | 159.3° |
| C1' | O4' | C4' | H4' | 144.6° | 78.3° |
| H1' | C1' | C2' | C3' | 108.3° | 94.9° |
| H1' | C1' | C2' | H2' | 11.7° | 23.8° |
| H1' | C1' | C2' | H2'A | 131.7° | 146.5° |
| H1' | C1' | O4' | C4' | 120.4° | 78.4° |
| C3' | C2' | H2' | H2'A | 122.6° | 122.7° |
| C2' | C3' | O3' | C4' | 113.5° | 114.6° |
| C2' | C3' | O3' | H3' | 122.3° | 122.6° |
| C2' | C3' | C4' | H3' | 121.8° | 118.7° |
| C2' | C3' | O3' | HO3' | 180.0° | 61.5° |
| C2' | C3' | C4' | C5' | 88.8° | 142.8° |
| C2' | C3' | C4' | O4' | 31.7° | 24.0° |
| C2' | C3' | C4' | H4' | 153.4° | 94.8° |
| H2' | C2' | C3' | O3' | 33.6° | 0.0° |
| H2' | C2' | C3' | C4' | 148.4° | 118.6° |
| H2' | C2' | C3' | H3' | 87.6° | 122.5° |
| H2'A | C2' | C3' | O3' | 153.6° | 122.7° |
| H2'A | C2' | C3' | C4' | 91.6° | 118.7° |
| H2'A | C2' | C3' | H3' | 32.4° | 0.1° |
| O3' | C3' | C4' | H3' | 120.8° | 122.7° |
| O3' | C3' | C4' | C5' | 153.8° | 98.6° |
| O3' | C3' | C4' | O4' | 85.6° | 142.6° |
| O3' | C3' | C4' | H4' | 36.1° | 23.8° |
| C4' | C3' | O3' | HO3' | 66.5° | 176.1° |
| C3' | C4' | C5' | O4' | 116.2° | 115.3° |
| C3' | C4' | C5' | H4' | 121.9° | 122.3° |
| C3' | C4' | O4' | H4' | 121.8° | 118.8° |
| C3' | C4' | C5' | O5' | 120.4° | 175.0° |
| C3' | C4' | C5' | H5' | 0.3° | 55.0° |
| C3' | C4' | C5' | H5'A | 119.6° | 64.9° |
| H3' | C3' | O3' | HO3' | 57.7° | 61.1° |
| H3' | C3' | C4' | C5' | 33.0° | 24.1° |
| H3' | C3' | C4' | O4' | 153.6° | 94.7° |
| H3' | C3' | C4' | H4' | 84.7° | 146.5° |
| C5' | C4' | O4' | H4' | 117.7° | 122.4° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.1° |
| C4' | C5' | H5' | H5'A | 120.9° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| O4' | C4' | C5' | O5' | 123.4° | 69.7° |
| O4' | C4' | C5' | H5' | 116.6° | 170.3° |
| O4' | C4' | C5' | H5'A | 3.4° | 50.4° |
| H4' | C4' | C5' | O5' | 1.6° | 52.7° |
| H4' | C4' | C5' | H5' | 121.6° | 67.3° |
| H4' | C4' | C5' | H5'A | 118.4° | 172.7° |
| O5' | C5' | H5' | H5'A | 120.9° | 120.0° |
| H5' | C5' | O5' | HO5' | 60.0° | 60.0° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
