Z8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N53 | N52 | doub | 1.12Å | 1.37Å | |
| N52 | N51 | doub | 1.13Å | 1.32Å | |
| N51 | C5' | sing | 1.46Å | 1.55Å | |
| N6 | C6 | sing | 1.38Å | 1.41Å | |
| N7 | C5 | sing | 1.36Å | 1.37Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.35Å | Aromatic |
| BR8 | C8 | sing | 1.89Å | 1.94Å | |
| C8 | N9 | sing | 1.36Å | 1.32Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.36Å | Aromatic |
| O5' | C4' | sing | 1.44Å | 1.38Å | |
| O5' | C1' | sing | 1.44Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.46Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.48Å | |
| C2 | N3 | sing | 1.32Å | 1.30Å | Aromatic |
| C4' | C3' | sing | 1.54Å | 1.46Å | |
| C1' | C2' | sing | 1.55Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.42Å | |
| C2' | O2' | sing | 1.43Å | 1.48Å | |
| C3' | O3' | sing | 1.43Å | 1.34Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H1N6 | sing | 0.97Å | 1.00Å | |
| N6 | H2N6 | sing | 0.97Å | 1.00Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H15' | sing | 1.09Å | 1.10Å | |
| C5' | H25' | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N53 | N52 | N51 | 108.9° | 179.9° |
| N52 | N51 | C5' | 110.2° | 120.0° |
| N51 | C5' | C4' | 115.7° | 109.5° |
| N51 | C5' | H15' | 107.4° | 109.5° |
| N51 | C5' | H25' | 107.4° | 109.5° |
| N6 | C6 | C5 | 119.8° | 120.7° |
| N6 | C6 | N1 | 121.5° | 120.8° |
| C6 | N6 | H1N6 | 109.5° | 120.0° |
| C6 | N6 | H2N6 | 109.4° | 120.0° |
| C5 | N7 | C8 | 107.3° | 109.5° |
| N7 | C5 | C6 | 132.5° | 134.7° |
| N7 | C5 | C4 | 107.7° | 107.1° |
| N7 | C8 | BR8 | 123.6° | 125.1° |
| N7 | C8 | N9 | 110.6° | 110.0° |
| C5 | C6 | N1 | 118.7° | 118.5° |
| C6 | C5 | C4 | 119.8° | 118.1° |
| C6 | N1 | C2 | 120.8° | 121.2° |
| C5 | C4 | N9 | 107.1° | 106.0° |
| C5 | C4 | N3 | 118.4° | 119.1° |
| BR8 | C8 | N9 | 125.9° | 125.0° |
| C8 | N9 | C4 | 107.4° | 107.5° |
| C8 | N9 | C1' | 127.5° | 126.3° |
| N1 | C2 | N3 | 121.7° | 122.4° |
| N1 | C2 | H2 | 119.2° | 118.8° |
| C4' | O5' | C1' | 106.2° | 107.0° |
| O5' | C4' | C5' | 109.7° | 110.0° |
| O5' | C4' | C3' | 107.7° | 107.3° |
| O5' | C4' | H4' | 110.4° | 109.9° |
| O5' | C1' | N9 | 111.7° | 110.6° |
| O5' | C1' | C2' | 103.5° | 103.5° |
| O5' | C1' | H1' | 114.7° | 110.8° |
| C5' | C4' | C3' | 109.4° | 109.9° |
| C5' | C4' | H4' | 108.9° | 109.9° |
| C4' | C5' | H15' | 107.4° | 109.5° |
| C4' | C5' | H25' | 107.4° | 109.5° |
| N9 | C4 | N3 | 134.6° | 135.0° |
| C4 | N9 | C1' | 125.1° | 126.2° |
| C4 | N3 | C2 | 120.7° | 120.7° |
| N9 | C1' | C2' | 116.5° | 110.6° |
| N9 | C1' | H1' | 101.2° | 110.6° |
| N3 | C2 | H2 | 119.2° | 118.8° |
| C4' | C3' | C2' | 103.1° | 104.2° |
| C4' | C3' | O3' | 108.6° | 110.5° |
| C4' | C3' | H3' | 114.3° | 110.6° |
| C3' | C4' | H4' | 110.8° | 109.9° |
| C1' | C2' | C3' | 103.2° | 102.1° |
| C1' | C2' | O2' | 112.4° | 110.9° |
| C2' | C1' | H1' | 109.7° | 110.6° |
| C1' | C2' | H2' | 112.1° | 110.9° |
| C3' | C2' | O2' | 110.9° | 110.9° |
| C2' | C3' | O3' | 110.3° | 110.5° |
| C3' | C2' | H2' | 113.7° | 110.9° |
| C2' | C3' | H3' | 112.8° | 110.5° |
| O2' | C2' | H2' | 104.7° | 110.9° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| O3' | C3' | H3' | 107.6° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| H1N6 | N6 | H2N6 | 109.4° | 120.0° |
| H15' | C5' | H25' | 111.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N53 | N52 | N51 | C5' | 142.3° | 39.0° |
| N52 | N51 | C5' | C4' | 136.6° | 120.0° |
| N52 | N51 | C5' | H15' | 16.6° | 0.0° |
| N52 | N51 | C5' | H25' | 103.5° | 120.0° |
| N51 | C5' | C4' | O5' | 61.1° | 67.1° |
| N51 | C5' | C4' | H15' | 120.0° | 120.0° |
| N51 | C5' | C4' | H25' | 120.0° | 120.0° |
| N51 | C5' | C4' | C3' | 179.0° | 175.0° |
| N51 | C5' | C4' | H4' | 59.9° | 54.0° |
| N51 | C5' | H15' | H25' | 117.5° | 120.0° |
| N6 | C6 | C5 | N7 | 1.2° | 0.1° |
| N6 | C6 | C5 | N1 | 179.4° | 180.0° |
| N6 | C6 | C5 | C4 | 179.9° | 180.0° |
| N6 | C6 | N1 | C2 | 179.4° | 180.0° |
| C6 | N6 | H1N6 | H2N6 | 120.0° | 179.9° |
| N7 | C5 | C6 | C4 | 178.7° | 179.9° |
| N7 | C5 | C6 | N1 | 179.4° | 179.9° |
| C5 | N7 | C8 | BR8 | 179.9° | 180.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.1° |
| N7 | C5 | C4 | N9 | 0.5° | 0.0° |
| N7 | C5 | C4 | N3 | 179.8° | 179.9° |
| C8 | N7 | C5 | C6 | 179.2° | 180.0° |
| C8 | N7 | C5 | C4 | 0.4° | 0.0° |
| N7 | C8 | BR8 | N9 | 179.7° | 179.9° |
| N7 | C8 | N9 | C4 | 0.1° | 0.1° |
| N7 | C8 | N9 | C1' | 179.8° | 180.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | N9 | 179.4° | 179.9° |
| C6 | C5 | C4 | N3 | 1.2° | 0.0° |
| C5 | C6 | N6 | H1N6 | 179.4° | 0.1° |
| C5 | C6 | N6 | H2N6 | 59.5° | 180.0° |
| N1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | H2 | 179.8° | 180.0° |
| N1 | C6 | N6 | H1N6 | 0.0° | 180.0° |
| N1 | C6 | N6 | H2N6 | 120.0° | 0.0° |
| C5 | C4 | N9 | C8 | 0.3° | 0.1° |
| C5 | C4 | N9 | N3 | 179.2° | 179.9° |
| C5 | C4 | N9 | C1' | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 1.1° | 0.0° |
| BR8 | C8 | N9 | C4 | 179.7° | 180.0° |
| BR8 | C8 | N9 | C1' | 0.0° | 0.0° |
| C8 | N9 | C1' | O5' | 56.4° | 39.1° |
| C8 | N9 | C4 | C1' | 179.7° | 179.9° |
| C8 | N9 | C4 | N3 | 179.5° | 180.0° |
| C8 | N9 | C1' | C2' | 62.2° | 75.0° |
| C8 | N9 | C1' | H1' | 178.9° | 162.2° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| O5' | C4' | C5' | C3' | 117.9° | 117.9° |
| O5' | C4' | C5' | H4' | 120.9° | 121.1° |
| C4' | O5' | C1' | N9 | 159.5° | 158.6° |
| O5' | C4' | C3' | H4' | 120.9° | 119.4° |
| C4' | O5' | C1' | C2' | 33.4° | 40.1° |
| O5' | C4' | C3' | C2' | 12.1° | 2.0° |
| O5' | C4' | C3' | O3' | 104.9° | 120.7° |
| C4' | O5' | C1' | H1' | 86.1° | 78.5° |
| O5' | C4' | C3' | H3' | 134.9° | 116.7° |
| O5' | C4' | C5' | H15' | 58.9° | 172.9° |
| O5' | C4' | C5' | H25' | 179.0° | 52.9° |
| C1' | O5' | C4' | C5' | 132.4° | 146.0° |
| O5' | C1' | N9 | C4 | 124.0° | 141.0° |
| O5' | C1' | N9 | C2' | 118.6° | 114.0° |
| O5' | C1' | N9 | H1' | 122.5° | 123.1° |
| C1' | O5' | C4' | C3' | 13.5° | 26.5° |
| O5' | C1' | C2' | H1' | 122.9° | 118.7° |
| O5' | C1' | C2' | C3' | 41.0° | 37.0° |
| O5' | C1' | C2' | O2' | 160.6° | 155.2° |
| O5' | C1' | C2' | H2' | 81.7° | 81.1° |
| C1' | O5' | C4' | H4' | 107.6° | 92.9° |
| C5' | C4' | C3' | H4' | 120.0° | 121.0° |
| C5' | C4' | C3' | C2' | 107.0° | 121.6° |
| C5' | C4' | C3' | O3' | 136.0° | 119.7° |
| C5' | C4' | C3' | H3' | 15.8° | 2.8° |
| C4' | C5' | H15' | H25' | 117.5° | 120.0° |
| N9 | C4 | N3 | C2 | 179.8° | 179.9° |
| C4 | N9 | C1' | C2' | 117.4° | 105.0° |
| C4 | N9 | C1' | H1' | 1.5° | 17.9° |
| N3 | C4 | N9 | C1' | 0.8° | 0.1° |
| C4 | N3 | C2 | H2 | 179.6° | 180.0° |
| N9 | C1' | C2' | H1' | 114.1° | 122.8° |
| N9 | C1' | C2' | C3' | 164.0° | 155.5° |
| N9 | C1' | C2' | O2' | 76.4° | 86.3° |
| N9 | C1' | C2' | H2' | 41.3° | 37.3° |
| C4' | C3' | C2' | C1' | 31.8° | 20.9° |
| C4' | C3' | C2' | O3' | 115.8° | 118.7° |
| C4' | C3' | C2' | H3' | 123.8° | 118.8° |
| C4' | C3' | C2' | O2' | 152.4° | 139.1° |
| C4' | C3' | O3' | H3' | 124.3° | 122.7° |
| C4' | C3' | C2' | H2' | 89.9° | 97.3° |
| C4' | C3' | O3' | HO3' | 180.0° | 65.2° |
| C3' | C4' | C5' | H15' | 59.0° | 55.0° |
| C3' | C4' | C5' | H25' | 61.0° | 65.0° |
| C1' | C2' | C3' | O2' | 120.6° | 118.2° |
| C1' | C2' | C3' | H2' | 121.7° | 118.2° |
| C1' | C2' | O2' | H2' | 122.0° | 123.7° |
| C1' | C2' | C3' | O3' | 84.0° | 97.8° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 155.6° | 139.7° |
| C3' | C2' | O2' | H2' | 123.0° | 123.7° |
| C2' | C3' | O3' | H3' | 123.4° | 122.5° |
| C3' | C2' | C1' | H1' | 81.8° | 81.7° |
| C3' | C2' | O2' | HO2' | 65.0° | 67.3° |
| C2' | C3' | O3' | HO3' | 67.7° | 180.0° |
| C2' | C3' | C4' | H4' | 133.0° | 117.4° |
| O2' | C2' | C3' | O3' | 36.6° | 20.4° |
| O2' | C2' | C1' | H1' | 37.7° | 36.5° |
| O2' | C2' | C3' | H3' | 83.8° | 102.1° |
| O3' | C3' | C2' | H2' | 154.3° | 144.0° |
| O3' | C3' | C4' | H4' | 16.0° | 1.3° |
| H1' | C1' | C2' | H2' | 155.4° | 160.2° |
| H2' | C2' | O2' | HO2' | 58.1° | 56.4° |
| H2' | C2' | C3' | H3' | 33.9° | 21.6° |
| H3' | C3' | O3' | HO3' | 55.8° | 57.4° |
| H3' | C3' | C4' | H4' | 104.2° | 123.8° |
| H4' | C4' | C5' | H15' | 179.8° | 66.0° |
| H4' | C4' | C5' | H25' | 60.1° | 174.0° |
