BG2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR | C8 | sing | 1.89Å | 1.97Å | |
| N1 | C2 | sing | 1.36Å | 1.35Å | |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| C2 | N2 | sing | 1.37Å | 1.34Å | |
| C2 | N3 | doub | 1.31Å | 1.34Å | |
| N3 | C4 | sing | 1.34Å | 1.36Å | |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.37Å | |
| C5 | N7 | sing | 1.36Å | 1.35Å | Aromatic |
| C6 | O6 | doub | 1.22Å | 1.37Å | |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.49Å | |
| C1' | C2' | sing | 1.55Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| C2' | O2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.49Å | |
| C3' | O3' | sing | 1.43Å | 1.40Å | |
| C3' | C4' | sing | 1.54Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.42Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | 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' | 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) |
| BR | C8 | N7 | 120.2° | 125.1° |
| BR | C8 | N9 | 121.7° | 125.1° |
| C2 | N1 | C6 | 119.8° | 120.3° |
| N1 | C2 | N2 | 119.7° | 119.0° |
| N1 | C2 | N3 | 121.8° | 121.9° |
| C2 | N1 | HN1 | 120.1° | 119.9° |
| N1 | C6 | C5 | 119.3° | 118.4° |
| N1 | C6 | O6 | 124.5° | 120.8° |
| C6 | N1 | HN1 | 120.1° | 119.8° |
| N2 | C2 | N3 | 118.6° | 119.1° |
| C2 | N2 | HN2 | 120.0° | 120.1° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 120.8° | 121.1° |
| N3 | C4 | C5 | 117.8° | 119.7° |
| N3 | C4 | N9 | 135.1° | 134.2° |
| C5 | C4 | N9 | 107.1° | 106.2° |
| C4 | C5 | C6 | 120.6° | 118.6° |
| C4 | C5 | N7 | 110.5° | 107.3° |
| C4 | N9 | C8 | 103.0° | 107.4° |
| C4 | N9 | C1' | 134.8° | 126.3° |
| C6 | C5 | N7 | 128.9° | 134.1° |
| C5 | C6 | O6 | 116.2° | 120.8° |
| C5 | N7 | C8 | 101.3° | 109.3° |
| N7 | C8 | N9 | 118.1° | 109.8° |
| C8 | N9 | C1' | 122.2° | 126.3° |
| N9 | C1' | C2' | 115.1° | 110.6° |
| N9 | C1' | O4' | 108.5° | 110.6° |
| N9 | C1' | H1' | 107.9° | 110.6° |
| C2' | C1' | O4' | 108.5° | 103.5° |
| C1' | C2' | O2' | 108.8° | 110.9° |
| C1' | C2' | C3' | 104.3° | 102.1° |
| C2' | C1' | H1' | 107.8° | 110.6° |
| C1' | C2' | H2' | 111.6° | 110.9° |
| C1' | O4' | C4' | 111.3° | 107.0° |
| O4' | C1' | H1' | 108.9° | 110.7° |
| O2' | C2' | C3' | 107.3° | 110.9° |
| O2' | C2' | H2' | 112.7° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | O3' | 102.9° | 110.5° |
| C2' | C3' | C4' | 108.5° | 104.2° |
| C3' | C2' | H2' | 111.7° | 110.9° |
| C2' | C3' | H3' | 112.2° | 110.5° |
| O3' | C3' | C4' | 106.9° | 110.5° |
| O3' | C3' | H3' | 113.7° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C4' | O4' | 105.3° | 107.3° |
| C3' | C4' | C5' | 114.2° | 109.9° |
| C4' | C3' | H3' | 112.0° | 110.6° |
| C3' | C4' | H4' | 109.2° | 109.8° |
| O4' | C4' | C5' | 108.9° | 109.9° |
| O4' | C4' | H4' | 110.4° | 109.9° |
| C4' | C5' | O5' | 109.9° | 109.5° |
| C5' | C4' | H4' | 108.8° | 110.0° |
| C4' | C5' | H5' | 109.4° | 109.5° |
| C4' | C5' | H5'A | 109.4° | 109.5° |
| O5' | C5' | H5' | 109.4° | 109.4° |
| O5' | C5' | H5'A | 109.4° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| H5' | C5' | H5'A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR | C8 | N9 | C4 | 178.8° | 180.0° |
| BR | C8 | N7 | C5 | 178.7° | 179.9° |
| BR | C8 | N7 | N9 | 178.5° | 179.9° |
| BR | C8 | N9 | C1' | 2.5° | 0.1° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.7° |
| N1 | C2 | N2 | N3 | 179.3° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | O6 | 179.2° | 179.9° |
| N1 | C2 | N2 | HN2 | 179.3° | 0.0° |
| N1 | C2 | N2 | HN2A | 0.7° | 180.0° |
| C6 | N1 | C2 | N2 | 179.5° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | O6 | 179.2° | 179.9° |
| N1 | C6 | C5 | N7 | 179.6° | 180.0° |
| N2 | C2 | N3 | C4 | 179.7° | 180.0° |
| N2 | C2 | N1 | HN1 | 0.5° | 0.3° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.3° | 0.0° |
| C2 | N3 | C4 | N9 | 179.3° | 179.9° |
| N3 | C2 | N1 | HN1 | 179.8° | 179.8° |
| N3 | C2 | N2 | HN2 | 0.0° | 180.0° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.0° |
| N3 | C4 | C5 | N9 | 179.7° | 179.9° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 180.0° |
| N3 | C4 | N9 | C1' | 1.6° | 0.1° |
| C4 | C5 | C6 | N7 | 179.7° | 179.9° |
| C4 | C5 | C6 | O6 | 179.3° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.1° |
| C5 | C4 | N9 | C1' | 178.7° | 180.0° |
| N9 | C4 | C5 | C6 | 179.6° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.1° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | C1' | 178.7° | 179.9° |
| C4 | N9 | C1' | C2' | 10.5° | 105.0° |
| C4 | N9 | C1' | O4' | 111.3° | 140.9° |
| C4 | N9 | C1' | H1' | 130.8° | 17.9° |
| C6 | C5 | N7 | C8 | 179.7° | 180.0° |
| C5 | C6 | N1 | HN1 | 180.0° | 179.7° |
| N7 | C5 | C6 | O6 | 0.4° | 0.1° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| O6 | C6 | N1 | HN1 | 0.8° | 0.2° |
| N7 | C8 | N9 | C1' | 179.0° | 180.0° |
| C8 | N9 | C1' | C2' | 167.8° | 75.0° |
| C8 | N9 | C1' | O4' | 70.4° | 39.0° |
| C8 | N9 | C1' | H1' | 47.4° | 162.1° |
| N9 | C1' | C2' | O4' | 121.8° | 118.5° |
| N9 | C1' | C2' | H1' | 120.4° | 122.9° |
| N9 | C1' | O4' | H1' | 117.2° | 122.9° |
| N9 | C1' | C2' | O2' | 127.1° | 86.3° |
| N9 | C1' | C2' | C3' | 118.6° | 155.5° |
| N9 | C1' | O4' | C4' | 114.0° | 158.5° |
| N9 | C1' | C2' | H2' | 2.1° | 37.3° |
| C2' | C1' | O4' | H1' | 117.1° | 118.6° |
| C1' | C2' | O2' | C3' | 112.3° | 112.7° |
| C1' | C2' | O2' | H2' | 124.3° | 123.6° |
| C1' | C2' | C3' | H2' | 120.7° | 118.2° |
| C1' | C2' | C3' | O3' | 107.2° | 97.8° |
| C1' | C2' | C3' | C4' | 5.8° | 20.9° |
| C2' | C1' | O4' | C4' | 11.7° | 40.0° |
| C1' | C2' | O2' | HO2' | 180.0° | 180.0° |
| C1' | C2' | C3' | H3' | 130.1° | 139.7° |
| O4' | C1' | C2' | O2' | 111.1° | 155.2° |
| O4' | C1' | C2' | C3' | 3.2° | 37.0° |
| C1' | O4' | C4' | C3' | 15.0° | 26.5° |
| C1' | O4' | C4' | C5' | 107.8° | 146.0° |
| O4' | C1' | C2' | H2' | 124.0° | 81.2° |
| C1' | O4' | C4' | H4' | 132.7° | 92.9° |
| O2' | C2' | C3' | H2' | 124.1° | 123.6° |
| O2' | C2' | C3' | O3' | 8.0° | 20.4° |
| O2' | C2' | C3' | C4' | 121.1° | 139.1° |
| O2' | C2' | C1' | H1' | 6.7° | 36.6° |
| O2' | C2' | C3' | H3' | 114.6° | 102.1° |
| C2' | C3' | O3' | C4' | 114.2° | 114.8° |
| C2' | C3' | O3' | H3' | 121.6° | 122.5° |
| C2' | C3' | C4' | H3' | 124.4° | 118.7° |
| C2' | C3' | C4' | O4' | 12.6° | 2.0° |
| C2' | C3' | C4' | C5' | 106.8° | 121.4° |
| C3' | C2' | C1' | H1' | 120.9° | 81.6° |
| C3' | C2' | O2' | HO2' | 67.7° | 67.3° |
| C2' | C3' | O3' | HO3' | 180.0° | 179.9° |
| C2' | C3' | C4' | H4' | 131.1° | 117.4° |
| O3' | C3' | C4' | H3' | 125.2° | 122.6° |
| O3' | C3' | C4' | O4' | 97.7° | 120.7° |
| O3' | C3' | C4' | C5' | 142.9° | 119.9° |
| O3' | C3' | C2' | H2' | 132.1° | 144.0° |
| O3' | C3' | C4' | H4' | 20.8° | 1.3° |
| C3' | C4' | O4' | C5' | 122.8° | 119.5° |
| C3' | C4' | O4' | H4' | 117.7° | 119.4° |
| C3' | C4' | C5' | H4' | 122.3° | 121.1° |
| C3' | C4' | C5' | O5' | 147.4° | 174.9° |
| C4' | C3' | C2' | H2' | 114.8° | 97.3° |
| C4' | C3' | O3' | HO3' | 65.9° | 65.2° |
| C3' | C4' | C5' | H5' | 92.5° | 55.0° |
| C3' | C4' | C5' | H5'A | 27.4° | 65.0° |
| O4' | C4' | C5' | H4' | 120.4° | 121.1° |
| O4' | C4' | C5' | O5' | 30.1° | 67.2° |
| C4' | O4' | C1' | H1' | 128.8° | 78.5° |
| O4' | C4' | C3' | H3' | 137.0° | 116.7° |
| O4' | C4' | C5' | H5' | 150.2° | 172.9° |
| O4' | C4' | C5' | H5'A | 89.9° | 52.9° |
| C4' | C5' | O5' | H5' | 120.1° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.1° | 120.0° |
| C5' | C4' | C3' | H3' | 17.7° | 2.8° |
| C4' | C5' | H5' | H5'A | 119.8° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| O5' | C5' | C4' | H4' | 90.3° | 53.9° |
| O5' | C5' | H5' | H5'A | 119.8° | 120.0° |
| H1' | C1' | C2' | H2' | 118.3° | 160.2° |
| H2' | C2' | O2' | HO2' | 55.7° | 56.4° |
| H2' | C2' | C3' | H3' | 9.5° | 21.5° |
| H3' | C3' | O3' | HO3' | 58.3° | 57.5° |
| H3' | C3' | C4' | H4' | 104.4° | 123.9° |
| H4' | C4' | C5' | H5' | 29.8° | 66.1° |
| H4' | C4' | C5' | H5'A | 149.7° | 174.0° |
| H5' | C5' | O5' | HO5' | 59.9° | 60.1° |
| H5'A | C5' | O5' | HO5' | 59.9° | 59.9° |
